Crystallography Open Database

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2107290 CIF
HKL
Paper
B2 VP 6/m m m2.9977; 2.9977; 3.056
90; 90; 120
23.783Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri
On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~
Acta Crystallographica Section B, 2015, 71, 777-787
7234258 CIFAl NP 63 m c3.081; 3.081; 5.031
90; 90; 120
41.359Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu
Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition
Journal of Materials Chemistry C, 2015, 3, 5307-5315
7234259 CIFGa NP 63 m c3.1972; 3.1972; 5.207
90; 90; 120
46.1Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu
Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition
Journal of Materials Chemistry C, 2015, 3, 5307-5315
1561896 CIFCl0.58 H1.42 Mg0.3 Ni0.7 O1.42P -3 m 13.195741; 3.195741; 5.50343
90; 90; 120
48.6751Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
2240649 CIF
HKL
Ge O3 SrP m -3 m3.7978; 3.7978; 3.7978
90; 90; 90
54.777Nakatsuka, Akihiko; Arima, Hiroshi; Ohtaka, Osamu; Fujiwara, Keiko; Yoshiasa, Akira
Crystal structure of SrGeO~3~ in the high-pressure perovskite-type phase
Acta Crystallographica Section E, 2015, 71, 502-504
4002217 CIFCr0.5 O3 Pb Re0.5P m -3 m3.93936; 3.93936; 3.93936
90; 90; 90
61.1332Retuerto, Maria; Li, Man-Rong; Stephens, Peter W.; Sánchez-Benítez, Javier; Deng, Xiaoyu; Kotliar, Gabriel; Croft, Mark C.; Ignatov, Alexander; Walker, David; Greenblatt, Martha
Half-Metallicity in Pb2CoReO6Double Perovskite and High Magnetic Ordering Temperature in Pb2CrReO6Perovskite
Chemistry of Materials, 2015, 27, 4450
2310780 CIF
Paper
Bi0.097 Fe1.049 O2.585 Pb0.856I 1 2/m 13.93492; 3.93193; 4.00171
90; 92.603; 90
61.85Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310781 CIF
Paper
Bi0.195 Fe1.046 O2.633 Pb0.763I 1 2/m 13.92822; 3.92661; 4.05202
90; 92.209; 90
62.454Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310782 CIF
Paper
Bi0.292 Fe1.042 O2.675 Pb0.671I 1 2/m 13.92131; 3.91951; 4.09255
90; 91.913; 90
62.866Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310783 CIF
Paper
Bi0.428 Fe1.034 O2.736 Pb0.541I 1 2/m 13.9146; 3.91271; 4.13775
90; 91.554; 90
63.353Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310784 CIF
Paper
Bi0.545 Fe1.027 O2.783 Pb0.428I 1 2/m 13.90908; 3.90585; 4.16564
90; 91.318; 90
63.585Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
4124261 CIFFe SP 4/n m m :23.6802; 3.6802; 5.0307
90; 90; 90
68.135Lai, Xiaofang; Zhang, Hui; Wang, Yingqi; Wang, Xin; Zhang, Xian; Lin, Jianhua; Huang, Fuqiang
Observation of Superconductivity in Tetragonal FeS.
Journal of the American Chemical Society, 2015, 137, 10148-10151
7033669 CIFBa Co O2.22P m -3 m4.0868; 4.0868; 4.0868
90; 90; 90
68.257Mentré, Olivier; Iorgulescu, Mihaela; Huvé, Marielle; Kabbour, Houria; Renaut, Nicolas; Daviero-Minaud, Sylvie; Colis, Silviu; Roussel, Pascal
BaCoO2.22: the most oxygen-deficient certified cubic perovskite.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10728-10737
4512485 CIFBa Li0.2 N0.19 O2.81 Ta0.8P m -3 m4.10778; 4.10778; 4.10778
90; 90; 90
69.3141Kim, Young-Il; Paik, Younkee; Avdeev, Maxim
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Crystal Growth & Design, 2015, 15, 53
4512484 CIFBa N0.3 Na0.18 O2.7 Ta0.82P m -3 m4.13059; 4.13059; 4.13059
90; 90; 90
70.4752Kim, Young-Il; Paik, Younkee; Avdeev, Maxim
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Crystal Growth & Design, 2015, 15, 53
4343328 CIFAl B4 Cr3P m m m2.9556; 2.9778; 8.0539
90; 90; 90
70.88Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
2107291 CIF
HKL
Paper
B VC m c m3.0616; 8.0495; 2.9733
90; 90; 90
73.275Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri
On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~
Acta Crystallographica Section B, 2015, 71, 777-787
9017114 CIFC Ca0.04 Mn0.96 O3P -12.928; 4.816; 5.545
101.71; 94.99; 89.9
76.264Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11a Note: P = 46.79 GPa
American Mineralogist, 2015, 100, 2625-2629
9017115 CIFC Ca0.04 Mn0.96 O3P -12.934; 4.839; 5.557
101.87; 95.29; 89.73
76.872Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p12 Note: P = 44.01 GPa
American Mineralogist, 2015, 100, 2625-2629
9017113 CIFC Ca0.04 Mn0.96 O3P -12.936; 4.841; 5.568
100.82; 94.93; 90.18
77.429Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11 Note: P = 44.46 GPa
American Mineralogist, 2015, 100, 2625-2629
9017116 CIFC Ca0.04 Mn0.96 O3P -12.94; 4.856; 5.584
101.99; 95.58; 89.65
77.604Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p13 Note: P = 41.55 GPa
American Mineralogist, 2015, 100, 2625-2629
9017117 CIFC Ca0.04 Mn0.96 O3P -12.9539; 4.843; 5.588
101.78; 95.09; 90.45
77.921Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p14 Note: P = 35.67 GPa
American Mineralogist, 2015, 100, 2625-2629
4002154 CIFFe SeP 4/n m m :13.77233; 3.77233; 5.52249
90; 90; 90
78.5876Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4002152 CIFFe SeP 4/n m m :13.77354; 3.77354; 5.52226
90; 90; 90
78.635Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4002153 CIFFe0.925 SeP 4/n m m :13.78372; 3.78372; 5.512
90; 90; 90
78.913Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4002151 CIFFe0.91 SeP 4/n m m :13.78733; 3.78733; 5.5144
90; 90; 90
79.098Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4343333 CIFB MoC m c m3.1418; 8.4961; 3.0721
90; 90; 90
82.004Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343330 CIFAl B2 Fe2C m m m2.9217; 10.9991; 2.8563
90; 90; 90
91.79Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343335 CIFAl B2 Mn2C m m m2.918; 11.0379; 2.8932
90; 90; 90
93.19Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343334 CIFAl B2 Cr2C m m m2.9373; 11.0513; 2.9675
90; 90; 90
96.328Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
2300558 CIFNi SiP n m a5.1731; 3.3381; 5.6049
90; 90; 90
96.79Lord, Oliver T.; Thomson, Andrew R.; Wann, Elizabeth T. H.; Wood, Ian G.; Dobson, David P.; Vocadlo, Lidunka
The equation of state of the <i>Pmmn</i> phase of NiSi
Journal of Applied Crystallography, 2015, 48, 1914-1920
7037053 CIFF La OP 4/n m m :14.0847; 4.0847; 5.8295
90; 90; 90
97.264Dabachi, Jamal; Body, Monique; Dittmer, Jens; Fayon, Franck; Legein, Christophe
Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, (19)F and (139)La solid state NMR and DFT calculations of the NMR parameters.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20675-20684
4346636 CIFC Cd F K O3P -6 m 25.1324; 5.1324; 4.4324
90; 90; 120
101.11Lin, Yuan; Hu, Chun-Li; Mao, Jiang-Gao
K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures.
Inorganic chemistry, 2015, 54, 10407-10414
4344784 CIFD3.32 Ga2 Nd2P 1 21/m 14.1103; 4.1662; 6.4641
90; 108.605; 90
104.91Ångström, Jonas; Johansson, Robert; Sarkar, Tapati; Sørby, Magnus H; Zlotea, Claudia; Andersson, Mikael S.; Nordblad, Per; Scheicher, Ralph H.; Häussermann, Ulrich; Sahlberg, Martin
Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains.
Inorganic chemistry, 2015, 55, 345
7222460 CIFSnI 41/a m d :15.8393; 5.8392763; 3.1876
90; 90; 90
108.689Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen
In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries
CrystEngComm, 2015, 17, 8500
4342220 CIFMn O6 Sb2P -3 1 m5.20649; 5.20649; 4.66276
90; 90; 120
109.462Nalbandyan, Vladimir B.; Zvereva, Elena A.; Nikulin, Alexey Yu; Shukaev, Igor L.; Whangbo, Myung-Hwan; Koo, Hyun-Joo; Abdel-Hafiez, Mahmoud; Chen, Xiao-Jia; Koo, Changhyun; Vasiliev, Alexander N.; Klingeler, Rüdiger
New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties.
Inorganic chemistry, 2015, 54, 1705-1711
7221650 CIFAg2 SI m -3 m4.8741; 4.8741; 4.8741
90; 90; 90
115.793Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A.
An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder.
Physical chemistry chemical physics : PCCP, 2015, 17, 20495-20501
2107292 CIF
HKL
Paper
B4 V3I m m m2.9821; 3.0601; 13.2251
90; 90; 90
120.686Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri
On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~
Acta Crystallographica Section B, 2015, 71, 777-787
7220201 CIFFe1.15 H Li0.85 O SP 4/n m m :23.6886; 3.6886; 8.9149
90; 90; 90
121.29Zhang, Xian; Lai, Xiaofang; Yi, Na; He, Jianqiao; Chen, Haijie; Zhang, Hui; Lin, Jianhua; Huang, Fuqiang
Synthesis, crystal structure and physical properties of [Li0.85Fe0.15OH][FeS]
RSC Adv., 2015, 5, 38248
2019750 CIF
HKL
Paper
C B2 Li2P -4 m 24.1389; 4.1389; 7.1055
90; 90; 90
121.72Pavlyuk, Volodymyr; Milashys, Viktoriya; Dmytriv, Grygoriy; Ehrenberg, Helmut
A new tetragonal structure type for Li~2~B~2~C
Acta Crystallographica Section C, 2015, 71
7116665 CIFFe1.172 H Li0.828 O SP 4/n m m :13.7038; 3.7038; 8.8852
90; 90; 90
121.888U. Pachmayr; D. Johrendt
[(Li0.8Fe0.2)OH]FeS and the ferromagnetic superconductors [(Li0.8Fe0.2)OH]Fe(S1-xSex) (0 < x ? 1)
Chem.Commun., 2015, 51, 4689
4341423 CIFC0.33 Al O3.66 YP 63/m m c3.6798; 3.6798; 10.496
90; 90; 120
123.084Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.
True Composition and Structure of Hexagonal "YAlO3", Actually Y3Al3O8CO3.
Inorganic chemistry, 2015, 54, 837-844
7117021 CIFGd H3 O3P 63/m6.2993; 6.2993; 3.6057
90; 90; 120
123.91Yan Yang; Qian-Chong Zhang; Yin-Yin Pan; La-Sheng Long; Lan-Sun Zheng
Magnetocaloric effect and thermal conductivity of Gd(OH)3 and Gd2O(OH)4(H2O)2
Chem.Commun., 2015, 51, 7317
1520202 CIFMn O4 WP 1 2/c 14.6644; 5.468; 4.8614
90; 91.603; 90
123.94Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.
High-pressure structural phase transition in MnWO4
Physical Review B, 2015, 91, 104109
4341424 CIFC0.33 Al O3.66 YP 63/m m c3.7076; 3.7076; 10.552
90; 90; 120
125.618Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.
True Composition and Structure of Hexagonal "YAlO3", Actually Y3Al3O8CO3.
Inorganic chemistry, 2015, 54, 837-844
2300499 CIF
Paper
K0.5 Na0.5 Nb O3A m m 23.9443; 5.6425; 5.6763
90; 90; 90
126.33Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.
Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~
Journal of Applied Crystallography, 2015, 48
1520201 CIFMn O4 WP 1 2/c 14.6888; 5.536; 4.8844
90; 91.415; 90
126.75Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.
High-pressure structural phase transition in MnWO4
Physical Review B, 2015, 91, 104109
4342295 CIFFe1.19 H Li0.79 O SeP 4/n m m :23.7677; 3.7677; 9.1552
90; 90; 90
129.96Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342290 CIFFe1.19 H Li0.79 O SeP 4/n m m :23.7709; 3.7709; 9.1562
90; 90; 90
130.198Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342288 CIFFe1.17 H Li0.8 O SeP 4/n m m :23.7782; 3.7782; 9.1728
90; 90; 90
130.94Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342287 CIFFe1.15 H Li0.81 O SeP 4/n m m :23.7793; 3.7793; 9.192
90; 90; 90
131.29Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342286 CIFFe1.06 H Li0.81 O SeP 4/n m m :23.802; 3.802; 9.1098
90; 90; 90
131.684Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342293 CIFFe1.06 H Li0.8 O SeP 4/n m m :23.8038; 3.8038; 9.1052
90; 90; 90
131.742Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
2240887 CIF
HKL
Mo O4 ZnP 1 2/c 14.698; 5.738; 4.896
90; 90.311; 90
131.98Mtioui-Sghaier, Olfa; Mendoza-Meroño, Rafael; Ktari, Lilia; Dammak, Mohamed; García-Granda, Santiago
Redetermination of the crystal structure of β-zinc molybdate from single-crystal X-ray diffraction data
Acta Crystallographica Section E, 2015, 71, i6-i7
4342285 CIFFe1.14 H Li0.83 O SeP 4/n m m :23.7861; 3.7861; 9.2228
90; 90; 90
132.205Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342292 CIFFe1.16 H Li0.81 O SeP 4/n m m :23.7944; 3.7944; 9.2171
90; 90; 90
132.703Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342284 CIFFe1.15 H Li0.83 O SeP 4/n m m :23.7958; 3.7958; 9.2207
90; 90; 90
132.853Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
2107283 CIF
Paper
Mn2 Si3.5I 41/a m d :25.5235; 5.5235; 4.3634
90; 90; 90
133.123Akselrud, L.; Cardoso Gil, R.; Wagner-Reetz, M.; Grin, Yu.
Disorder in the composite crystal structure of the manganese `disilicide' MnSi~1.73~ from powder X-ray diffraction data
Acta Crystallographica Section B, 2015, 71, 707-712
4342291 CIFFe1.15 H Li0.81 O SeP 4/n m m :23.8025; 3.8025; 9.2345
90; 90; 90
133.522Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342289 CIFFe1.04 H Li0.82 O SeP 4/n m m :23.8219; 3.8219; 9.175
90; 90; 90
134.02Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
7220561 CIFC2 D5 N O2P 1 n 14.8695; 5.7118; 5.4416
90; 117.468; 90
134.289Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon
How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine
CrystEngComm, 2015, 17, 5315
7234257 CIFH3 N O6 Sr2P -6 2 m6.6037; 6.6037; 3.5585
90; 90; 120
134.392Ling Huang; Guohong Zou; Huaqiang Cai; Shichao Wang; Chensheng Lin; Ning Ye
Sr2(OH)3NO3: the first nitrate as a deep UV nonlinear optical material with large SHG responses
Journal of Materials Chemistry C, 2015, 3, 5268-5274
2020126 CIF
HKL
Paper
Bi2 Li3 TbP -3 m 14.6165; 4.6165; 7.3087
90; 90; 120
134.9Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen
Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)
Acta Crystallographica Section C, 2015, 71
4342294 CIFFe1.1 H Li0.82 O SeP 4/n m m :23.8249; 3.8249; 9.2378
90; 90; 90
135.148Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
2020125 CIF
HKL
Paper
Bi2 Gd Li3P -3 m 14.6188; 4.6188; 7.328
90; 90; 120
135.39Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen
Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)
Acta Crystallographica Section C, 2015, 71
1520200 CIFMn O4 WP 1 2/c 14.7983; 5.708; 4.9747
90; 91.124; 90
136.22Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.
High-pressure structural phase transition in MnWO4
Physical Review B, 2015, 91, 104109
2020124 CIF
HKL
Paper
Bi2 Li3 SmP -3 m 14.6398; 4.6398; 7.3624
90; 90; 120
137.26Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen
Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)
Acta Crystallographica Section C, 2015, 71
4343331 CIFAl B MoC m c m3.1987; 13.9218; 3.0937
90; 90; 90
137.77Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343329 CIFAl B WC m c m3.2016; 13.9059; 3.102
90; 90; 90
138.1Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343381 CIFCa Fe O SP 63 m c3.7519; 3.7519; 11.349
90; 90; 120
138.354Delacotte, Charlène; Pérez, Olivier; Pautrat, Alain; Berthebaud, David; Hébert, Sylvie; Suard, Emmanuelle; Pelloquin, Denis; Maignan, Antoine
Magnetodielectric Effect in Crystals of the Noncentrosymmetric CaOFeS at Low Temperature.
Inorganic chemistry, 2015, 54, 6560-6565
2020123 CIF
HKL
Paper
Bi2 Li3 NdP -3 m 14.6596; 4.6596; 7.422
90; 90; 120
139.56Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen
Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)
Acta Crystallographica Section C, 2015, 71
2020122 CIF
HKL
Paper
Bi2 Li3 PrP -3 m 14.6672; 4.6672; 7.435
90; 90; 120
140.26Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen
Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)
Acta Crystallographica Section C, 2015, 71
2020121 CIF
HKL
Paper
Bi2 Ce Li3P -3 m 14.679; 4.679; 7.4776
90; 90; 120
141.77Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen
Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)
Acta Crystallographica Section C, 2015, 71
2020120 CIF
HKL
Paper
Bi2 La Li3P -3 m 14.701; 4.701; 7.5431
90; 90; 120
144.36Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen
Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)
Acta Crystallographica Section C, 2015, 71
1520546 CIFS3 TiP 1 21/m 14.9476; 3.3787; 8.7479
90; 97.617; 90
144.944Lipatov, Alexey; Wilson, Peter M.; Shekhirev, Mikhail; Teeter, Jacob D.; Netusil, Ross; Sinitskii, Alexander
Few-layered titanium trisulfide (TiS3) field-effect transistors.
Nanoscale, 2015, 7, 12291-12296
2241204 CIF
HKL
N O PI -4 2 d4.6135; 4.6135; 6.9991
90; 90; 90
148.972Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data
Acta Crystallographica Section E, 2015, 71, 1325-1327
7220562 CIFC2 D5 N O2P 1 n 15.0092; 5.9924; 5.4976
90; 115.298; 90
149.2Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon
How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine
CrystEngComm, 2015, 17, 5315
7220792 CIFC2 Li2 TeP -3 m 16.2979; 6.2979; 4.4984
90; 90; 120
154.52Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor
The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2
RSC Adv., 2015
9017199 CIFCu0.55 Fe0.13 Ga0.19 In0.08 S Zn0.08F -4 3 m5.368; 5.368; 5.368
90; 90; 90
154.681Marquez-Zavalia M F; Galliski, M. A.; Drabek, M.; Vymazalova, A.; Watanabe, Y.; Murakami, H.; Bernhardt, H. J.
Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina
The Canadian Mineralogist, 2015, 52, 969-980
4513001 CIFC2 H5 N O2P 1 21 15.0749; 6.1692; 5.388
90; 113.393; 90
154.82Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua
Non-Topotactic Phase Transformations in Single Crystals of β-Glycine
Crystal Growth & Design, 2015, 15, 2568
7219517 CIFC6 H4 Cl N O2P 13.6779; 6.9371; 7.0372
61.6975; 80.0002; 89.5122
155.117Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei
Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid
CrystEngComm, 2015, 17, 2389
4341921 CIFCl3 Cs Hg0.88 Tl0.12P m -3 m5.3739; 5.3739; 5.3739
90; 90; 90
155.19Retuerto, Maria; Yin, Zhiping; Emge, Thomas J.; Stephens, Peter W.; Li, Man-Rong; Sarkar, Tapati; Croft, Mark C.; Ignatov, Alexander; Yuan, Z.; Zhang, S. J.; Jin, Changqing; Paria Sena, Robert; Hadermann, Joke; Kotliar, Gabriel; Greenblatt, Martha
Hole Doping and Structural Transformation in CsTl1-xHgxCl3.
Inorganic chemistry, 2015, 54, 1066-1075
4341922 CIFCl3 Cs Hg0.95 Tl0.05P m -3 m5.375; 5.375; 5.375
90; 90; 90
155.29Retuerto, Maria; Yin, Zhiping; Emge, Thomas J.; Stephens, Peter W.; Li, Man-Rong; Sarkar, Tapati; Croft, Mark C.; Ignatov, Alexander; Yuan, Z.; Zhang, S. J.; Jin, Changqing; Paria Sena, Robert; Hadermann, Joke; Kotliar, Gabriel; Greenblatt, Martha
Hole Doping and Structural Transformation in CsTl1-xHgxCl3.
Inorganic chemistry, 2015, 54, 1066-1075
2019932 CIF
HKL
Paper
F2 Na O2 VP 1 21/m 16.369; 3.625; 7.196
90; 110.37; 90
155.7Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao
Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell
Acta Crystallographica Section C, 2015, 71
2300556 CIFCl H Ni OR -3 m :H3.26061; 3.26061; 17.00619
90; 90; 120
156.58Bette, Sebastian; Dinnebier, Robert E.; Freyer, Daniela
Structure solution and refinement of stacking-faulted NiCl(OH)
Journal of Applied Crystallography, 2015, 48
4343161 CIFCe O2F m -3 m5.40972; 5.40972; 5.40972
90; 90; 90
158.316Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea
Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.
Inorganic chemistry, 2015, 54, 4126-4137
1544913 CIFBi0.63 Cd0.37 O1.79F m -3 m5.411; 5.411; 5.411
90; 90; 90
158.43Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C.
Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79
Journal of Asian Ceramic Societies, 2015, 3, 251-254
4343141 CIFCe0.9 O1.95 Sm0.1F m -3 m5.42221; 5.42221; 5.42221
90; 90; 90
159.415Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea
Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.
Inorganic chemistry, 2015, 54, 4126-4137
4343150 CIFCe0.9 O1.95 Sm0.1F m -3 m5.42513; 5.42513; 5.42513
90; 90; 90
159.673Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea
Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.
Inorganic chemistry, 2015, 54, 4126-4137
4343151 CIFCe0.8 O1.9 Sm0.2F m -3 m5.43285; 5.43285; 5.43285
90; 90; 90
160.355Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea
Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.
Inorganic chemistry, 2015, 54, 4126-4137
4343142 CIFCe0.8 O1.9 Sm0.2F m -3 m5.43346; 5.43346; 5.43346
90; 90; 90
160.409Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea
Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.
Inorganic chemistry, 2015, 54, 4126-4137
7234483 CIFGe0.77 Sb0.15 TeR 3 m :H4.2348; 4.2348; 10.373
90; 90; 120
161.1Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler
Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples
Journal of Materials Chemistry C, 2015, 3, 10525-10533
4124127 CIFLi7.5 O8 P0.5 Si1.5P 1 21/m 15.10536; 6.11225; 5.29671
90; 90.3692; 90
165.282Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful
Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.
Journal of the American Chemical Society, 2015, 137, 9136-9145
2310786 CIF
Paper
Al4.78 O9.61 Si1.22P b a m7.5757; 7.6651; 2.885
90; 90; 90
167.528Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X.
The modulated average structure of mullite.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368
2310785 CIF
Paper
Al4.8 O9.6 Si1.2P b a m7.5911; 7.6924; 2.8899
90; 90; 90
168.752Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X.
The modulated average structure of mullite.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368
1561727 CIFAg0.5 As2 Nd Zn0.5P 4/n m m :24.0495; 4.0495; 10.3571
90; 90; 90
169.84Ramachandran, Krishna K.; Genet, Clément; Mar, Arthur
Quaternary rare-earth arsenides REAg1−Zn As2 (RE=La‒Nd, Sm, Gd‒Dy) with tetragonal SrZnBi2- and HfCuSi2-type structures
Journal of Solid State Chemistry, 2015, 231, 204-211
1561728 CIFAg0.5 As2 Pr Zn0.5P 4/n m m :24.0536; 4.0536; 10.3542
90; 90; 90
170.14Ramachandran, Krishna K.; Genet, Clément; Mar, Arthur
Quaternary rare-earth arsenides REAg1−Zn As2 (RE=La‒Nd, Sm, Gd‒Dy) with tetragonal SrZnBi2- and HfCuSi2-type structures
Journal of Solid State Chemistry, 2015, 231, 204-211
4516578 CIFC4 H4 N2P 1 21/n 19.265; 5.433; 3.479
90; 96.15; 90
174.1Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
2311042 CIFCl NaF m -3 m5.62; 5.62; 5.62
90; 90; 90
177.504Juhás, Pavol; Farrow, Christopher L.; Yang, Xiaohao; Knox, Kevin R.; Billinge, Simon J. L.
Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems
Acta Crystallographica Section A, 2015, 71, 562-568
2300491 CIF
HKL
Paper
C4 Co Sc3I m m m3.394; 4.374; 11.995
90; 90; 90
178.07Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
Journal of Applied Crystallography, 2015, 48
2300492 CIF
HKL
Paper
C4 Co Sc3I m m m3.398; 4.377; 12.003
90; 90; 90
178.52Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
Journal of Applied Crystallography, 2015, 48
4123272 CIFF3 Nb2 O2P -15.1791; 5.7043; 6.8911
108.669; 109.922; 90.332
179.82Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.
Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.
Journal of the American Chemical Society, 2015, 137, 636-639
4516577 CIFC4 H4 N2P 1 21/n 19.267; 5.516; 3.544
90; 94.91; 90
180.5Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
1544909 CIFAl0.5 La2 Li0.5 O4I 4/m m m3.7742; 3.7742; 12.753
90; 90; 90
181.66Hamao, N.; Kataoka, K.; Akimoto, J.
Single-crystal synthesis and structure refinement of La2Li0.5Al0.5O4 with K2NiF4-type structure
Journal of Asian Ceramic Societies, 2015, 3, 301-304
4003212 CIFC F K O3 ZnP -6 c 25.0182; 5.0182; 8.355
90; 90; 120
182.21Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao
Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series
Chemistry of Materials, 2015, 27, 7520
7219540 CIFC1.28 H3.84 Mo2 N0.32 S4P 15.7097; 3.2187; 10.017
90; 90; 90
184.09Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.
Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations
RSC Adv., 2015
2300498 CIF
Paper
K0.5 Na0.5 Nb O3R 3 m :H5.6085; 5.6085; 6.9183
90; 90; 120
188.46Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.
Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~
Journal of Applied Crystallography, 2015, 48
7033135 CIFBa Ca Na2 O8 P2P -3 m 15.4474; 5.4474; 7.3624
90; 90; 120
189.2Kim, Minsung; Kobayashi, Makoto; Kato, Hideki; Yamane, Hisanori; Sato, Yasushi; Kakihana, Masato
Crystal structures and luminescence properties of Eu²⁺-activated new NaBa0.5Ca0.5PO₄ and Na₃Ba₂Ca(PO₄)₃.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 1900-1904
4343332 CIFAl B6 Cr4C m m m2.9517; 21.28; 3.013
90; 90; 90
189.25Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4516576 CIFC4 H4 N2P 1 21/n 19.313; 5.683; 3.583
90; 93.1; 90
189.4Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
4342352 CIFCu Ga O2P n a 215.46004; 6.61013; 5.27417
90; 90; 90
190.353Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Miyoshi, Shogo; Yamaguchi, Shu; Omata, Takahisa
Structural and Thermal Properties of Ternary Narrow-Gap Oxide Semiconductor; Wurtzite-Derived β-CuGaO2.
Inorganic chemistry, 2015, 54, 1698-1704
1518872 CIFAl2 Ce Pd2P 4/n m m :24.3974; 4.3974; 9.871
90; 90; 90
190.88Tursina, Anna; Khamitcaeva, Emma; Gribanov, Alexander; Gnida, Daniel; Kaczorowski, Dariusz
CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of CaBe2Ge2- and CsCl-type Units.
Inorganic chemistry, 2015, 54, 3439-3445
4516575 CIFC4 H4 N2P m n n9.307; 5.706; 3.623
90; 90; 90
192.4Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
9017705 CIFDy0.08 Er0.05 F2.92 Gd0.03 Ho0.02 O0.08 Tb0.01 Tm0.01 Y0.79 Yb0.01P n m a6.3827; 6.86727; 4.39168
90; 90; 90
192.495Atencio, D.; Bastos Neto, A. C.; Pereira, V. P.; Ferron, J. T. M. M.; Hoshino, M.; Moriyama, T.; Watanabe, Y.; Miyawaki, R.; Coutinho, J. M. V.; Andrade, M. B.; Domanik, K.; Chukanov, N. V.; Momma, K.; Hirano, H.; Tsunematsu, M.
Waimirite-(Y), orthorhombic YF3, a new mineral from the Pitinga mine, Presidente Figueiredo, Amazonas, Brazil and from Jabal Tawlah, Saudi Arabia: description and crystal structure
Mineralogical Magazine, 2015, 79, 767-780
4003215 CIFC F O3 Rb ZnP -6 c 25.1035; 5.1035; 8.619
90; 90; 120
194.41Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao
Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series
Chemistry of Materials, 2015, 27, 7520
9017693 CIFAs1.95 Cu4.99 O10 S0.02 V0.01 Zn0.04P -15.145; 6.2557; 6.2766
100.064; 96.351; 95.1
196.474Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Pushcharovsky, D. Y.
New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. III. Popovite, Cu5O2(AsO4)2
Mineralogical Magazine, 2015, 79, 133-143
1519664 CIFLi0.7 S2 TiR -3 m :H3.49658; 3.49658; 18.6529
90; 90; 120
197.499Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin
Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study
The Journal of Physical Chemistry C, 2015, 119, 11370
1519662 CIFLi0.7 S2 TiR -3 m :H3.49902; 3.49902; 18.6498
90; 90; 120
197.741Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin
Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study
The Journal of Physical Chemistry C, 2015, 119, 11370
4516574 CIFC4 H4 N2P m n n9.301; 5.735; 3.712
90; 90; 90
198Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
1519663 CIFLi0.9 S2 TiR -3 m :H3.52138; 3.52138; 18.5588
90; 90; 120
199.3Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin
Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study
The Journal of Physical Chemistry C, 2015, 119, 11370
1544474 CIFLi2 Mn O3C 1 2/m 14.9329; 8.5351; 5.026
90; 109.314; 90
199.7Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T.
Structural variation of Li2MnO3 during charge-discharge cycling
Journal of the Ceramic Society of Japan, 2015, 123, 589-594
9017090 CIFFe1.946 O3I 1 2/a 17.3951; 5.0117; 5.4417
90; 95.666; 90
200.695Peterson, K. M.; Heaney, P. J.; Post, J. E.; Eng, P. J.
A refined monoclinic structure for a variety of "hydrohematite" Note: T = 38 C
American Mineralogist, 2015, 100, 570-579
1519661 CIFLi0.9 S2 TiR -3 m :H3.53131; 3.53131; 18.609
90; 90; 120
200.967Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin
Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study
The Journal of Physical Chemistry C, 2015, 119, 11370
1562110 CIFCa Si2R -3 m :H3.82844; 3.82843; 15.89661
90; 90; 120
201.78Nedumkandathil, Reji; Benson, Daryn E.; Grins, Jekabs; Spektor, Kristina; Häussermann, Ulrich
The 3R polymorph of CaSi2
Journal of Solid State Chemistry, 2015, 222, 18-24
7219542 CIFC2 H6 Mo2 N0.5 S4P 15.6922; 3.2125; 11.046
90; 90; 90
201.99Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.
Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations
RSC Adv., 2015
4003213 CIFC Cd F K O3P -6 c 25.1349; 5.1349; 8.846
90; 90; 120
202Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao
Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series
Chemistry of Materials, 2015, 27, 7520
7219541 CIFC2.56 H6.4 Mo2 N0.32 S4P 15.6924; 3.2077; 11.084
90; 90; 90
202.39Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.
Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations
RSC Adv., 2015
7220793 CIFC2 Na2 TeI 4/m m m5.8727; 5.8727; 5.874
90; 90; 90
202.59Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor
The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2
RSC Adv., 2015
4516573 CIFC4 H4 N2P m n n9.312; 5.835; 3.743
90; 90; 90
203.4Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
4516572 CIFC4 H4 N2P m n n9.333; 5.848; 3.7735
90; 90; 90
205.96Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
1561802 CIFAu Bi2 SmP 4/n m m :24.599; 4.599; 9.747
90; 90; 90
206.2Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.
Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases
Journal of Solid State Chemistry, 2015, 230, 318-324
4343450 CIFCo Ge H3 K O10 P2P -14.454; 6.1119; 7.8383
102.02; 97.21; 91.75
206.7Huang, Chun-Zuo; Liu, Biao; Wen, Lei; Zhuang, Rong-Chuan; Zhao, Jing-Tai; Pan, Yuanming; Mi, Jin-Xiao; Huang, Ya-Xi
Dimensional Reduction From 2D Layer to 1D Band for Germanophosphates Induced by the "Tailor Effect" of Fluoride.
Inorganic chemistry, 2015, 54, 6978-6985
7054719 CIFC4 H4 O2P 1 21 13.8248; 7.0987; 7.7801
90; 101.058; 90
207.32Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
7054714 CIFC4 H4 O2P -15.0156; 6.9262; 7.0836
112.956; 97.227; 107.388
207.85Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
1561800 CIFAu Bi2 NdP 4/n m m :24.602; 4.602; 9.859
90; 90; 90
208.8Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.
Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases
Journal of Solid State Chemistry, 2015, 230, 318-324
7054720 CIFC4 H4 O2P 1 21 13.8518; 7.0956; 7.7924
90; 100.862; 90
209.16Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
4343453 CIFFe Ge H3 K O10 P2P -14.4538; 6.2232; 7.8158
102.384; 97.35; 92.227
209.36Huang, Chun-Zuo; Liu, Biao; Wen, Lei; Zhuang, Rong-Chuan; Zhao, Jing-Tai; Pan, Yuanming; Mi, Jin-Xiao; Huang, Ya-Xi
Dimensional Reduction From 2D Layer to 1D Band for Germanophosphates Induced by the "Tailor Effect" of Fluoride.
Inorganic chemistry, 2015, 54, 6978-6985
1561801 CIFAu Bi2 PrP 4/n m m :24.6206; 4.6206; 9.8624
90; 90; 90
210.56Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.
Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases
Journal of Solid State Chemistry, 2015, 230, 318-324
7054715 CIFC4 H4 O2P -15.0359; 6.9758; 7.1152
112.963; 97.033; 107.706
210.8Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
1561798 CIFAu Bi2 CeP 4/n m m :24.619; 4.619; 9.918
90; 90; 90
211.6Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.
Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases
Journal of Solid State Chemistry, 2015, 230, 318-324
1561799 CIFAu Bi2 LaP 4/n m m :24.623; 4.623; 9.936
90; 90; 90
212.4Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.
Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases
Journal of Solid State Chemistry, 2015, 230, 318-324
7033685 CIFCr Mn2 O6 SbP 1 21/n 15.218; 5.37104; 7.5874
90; 90.364; 90
212.641Dos Santos-García, Antonio J; Solana-Madruga, Elena; Ritter, Clemens; Ávila-Brande, David; Fabelo, Oscar; Sáez-Puche, Regino
Synthesis, structures and magnetic properties of the dimorphic Mn2CrSbO6 oxide.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10665-10672
7054721 CIFC4 H4 O2P 1 21 13.8856; 7.1138; 7.8353
90; 100.93; 90
212.65Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
7054716 CIFC4 H4 O2P -15.058; 7.0169; 7.1325
112.92; 96.962; 108.002
213.14Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
4003214 CIFC Cd F O3 RbP -6 c 25.2109; 5.2109; 9.0645
90; 90; 120
213.16Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao
Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series
Chemistry of Materials, 2015, 27, 7520
7054722 CIFC4 H4 O2P 1 21 13.8912; 7.1141; 7.8453
90; 100.8; 90
213.33Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
1561924 CIFGe0.605 Sb0.263 TeF m -3 m5.979; 5.979; 5.979
90; 90; 90
213.7Urban, Philipp; Schneider, Matthias N.; Oeckler, Oliver
Temperature-dependent ordering phenomena in single crystals of germanium antimony tellurides
Journal of Solid State Chemistry, 2015, 227, 223-231
7054723 CIFC4 H4 O2P 1 21 13.9127; 7.1074; 7.8489
90; 100.422; 90
214.67Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
2240885 CIF
HKL
H10 Mg O10 P2P -15.1486; 6.595; 7.096
112.31; 98.55; 98.28
215.08Gjikaj, Mimoza; Haase, Madeline
Crystal structure of <i>catena</i>-poly[[tetraaquamagnesium]-μ-(dihydrogen hypodiphosphato)-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section E, 2015, 71, 867-869
7054717 CIFC4 H4 O2P -15.0673; 7.0638; 7.163
113.064; 96.689; 108.347
215.3Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
7054718 CIFC4 H4 O2P 1 21 13.9158; 7.1104; 7.871
90; 100.59; 90
215.42Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
7054724 CIFC4 H4 O2P 1 21 13.9417; 7.1096; 7.878
90; 100.25; 90
217.25Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.
Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?
New J. Chem., 2015, 39, 3345
1562113 CIFAg Ga O2P n a 215.56175; 7.14749; 5.46875
90; 90; 90
217.397Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Omata, Takahisa
Structure of β-AgGaO2; ternary I‒III‒VI2 oxide semiconductor with a wurtzite-derived structure
Journal of Solid State Chemistry, 2015, 222, 66-70
4002175 CIFB3 Nb3 Ru3P m m a10.8672; 3.1543; 6.35
90; 90; 90
217.67Xie, Weiwei; Luo, Huixia; Baroudi, Kristen; Krizan, Jason W.; Phelan, Brendan F.; Cava, Robert J.
Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor
Chemistry of Materials, 2015, 27, 1149
4516815 CIFC11 H6 Br NP -14.7861; 5.9851; 7.9546
83.224; 75.23; 84.63
218.31Ossowski, Jakub; Wächter, Tobias; Silies, Laura; Kind, Martin; Noworolska, Agnieszka; Blobner, Florian; Gnatek, Dominika; Rysz, Jakub; Bolte, Michael; Feulner, Peter; Terfort, Andreas; Cyganik, Piotr; Zharnikov, Michael
Thiolate versus Selenolate: Structure, Stability, and Charge Transfer Properties.
ACS nano, 2015, 9, 4508-4526
4342085 CIFBi F0.5 O0.5 S2 SmP 4/n m m4.018; 4.018; 13.534
90; 90; 90
218.5Thakur, Gohil Singh; Selvan, Ganesan Kalai; Haque, Zeba; Gupta, Laxmi Chand; Samal, Saroj Lochan; Arumugam, Sonachalam; Ganguli, Ashok Kumar
Synthesis and Properties of SmO0.5F0.5BiS2 and Enhancement in Tc in La1-ySmyO0.5F0.5BiS2.
Inorganic chemistry, 2015, 54, 1076-1081
2106624 CIFF5 H12 N3 O2 WP m -3 m6.0298; 6.0298; 6.0298
90; 90; 90
219.234Udovenko, Anatoly; Laptash, Natalia
Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder
Acta Crystallographica Section B, 2015, 71, 478-483
4513294 CIFAs2 O3P 1 21 18.223; 3.9071; 7.13
90; 106.53; 90
219.61Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
3000048 CIFAl0.84 N1.69 O35.24 Zn2.16R -3 m :H3.080972; 3.080972; 26.778308
90; 90; 120
220.135Conterosito, Eleonora; Palin, Luca; Antonioli, Diego; Viterbo, Davide; Mugnaioli, Enrico; Kolb, Ute; Perioli, Luana; Milanesio, Marco; Gianotti, Valentina
Structural Characterisation of Complex Layered Double Hydroxides and TGA-GC-MS Study on Thermal Response and Carbonate Contamination in Nitrate- and Organic-Exchanged Hydrotalcites
Chemistry - A European Journal, 2015, 21, 14975-14986
1561923 CIFGe0.555 Sb0.297 TeF m -3 m6.049; 6.049; 6.049
90; 90; 90
221.3Urban, Philipp; Schneider, Matthias N.; Oeckler, Oliver
Temperature-dependent ordering phenomena in single crystals of germanium antimony tellurides
Journal of Solid State Chemistry, 2015, 227, 223-231
2300497 CIF
HKL
Bi1.09 Ge2.37 Te4F m -3 m6.055; 6.055; 6.055
90; 90; 90
221.99Urban, Philipp; Simonov, Arkadiy; Weber, Thomas; Oeckler, Oliver
Real structure of Ge4Bi2Te7: refinement on diffuse scattering data with the 3D-ΔPDF method
Journal of Applied Crystallography, 2015, 48, 200
7036869 CIFMn2 O6 Sb ScP 1 21/n 15.2909; 5.4698; 7.7349
90; 90.165; 90
223.85Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R
High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20441-20448
7054634 CIFDy0.5 Mn O3 Yb0.5P n m a5.8352; 7.3473; 5.2561
90; 90; 90
225.34Zhang, Yingnan; Liu, Fuyang; Zheng, Tong; Zhang, Ziqing; Liu, Wei; Zhao, Xudong; Liu, Xiaoyang
Synthesis of perovskite-type manganites Yb1−xDyxMnO3(0.1 ≤ x ≤ 0.5) via solid-state reaction and high-pressure flux methods followed by structural characterization and magnetic property studies
New J. Chem., 2015, 39, 2596
1529272 CIF
HKL
F6.82 N3 SnP m -3 m6.092385; 6.092385; 6.092385
90; 90; 90
226.132Flerov, Igor; Molokeev, Maxim; Laptash, Natalia; Udovenko, Anatoly; Pogoreltsev, Evgeniy; Melnikova, Svetlana; Misyul, Sergey
Structural transformation between two cubic phases of (NH4)3SnF7
Journal of Fluorine Chemistry, 2015, 179, 86
2241059 CIF
HKL
Ca Ir O3C m c m3.1466; 9.869; 7.3019
90; 90; 90
226.75Nakatsuka, Akihiko; Sugiyama, Kazumasa; Yoneda, Akira; Fujiwara, Keiko; Yoshiasa, Akira
Crystal structure of post-perovskite-type CaIrO~3~ reinvestigated: new insights into atomic thermal vibration behaviors
Acta Crystallographica Section E, 2015, 71, 1109-1113
1543882 CIFCa2.8 Cr1.2 Fe2.8 La1.2 O12P n m a5.4615; 7.747; 5.462
90; 90; 90
231.1Molero-Sánchez, Beatriz; Prado-Gonjal, Jesús; Ávila-Brande, David; Birss, Viola; Morán, Emilio
Microwave-assisted synthesis and characterization of new cathodic material for solid oxide fuel cells: La0.3Ca0.7Fe0.7Cr0.3O3−δ
Ceramics International, 2015, 41, 8411
4512999 CIFC2 H5 N O2P 316.9824; 6.9824; 5.4749
90; 90; 120
231.16Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua
Non-Topotactic Phase Transformations in Single Crystals of β-Glycine
Crystal Growth & Design, 2015, 15, 2568
1529235 CIF
HKL
Nd2 O6 SI 2 2 24.11991; 4.22332; 13.349
90; 90; 90
232.27Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor
Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4
Journal of Coordination Chemistry, 2015, 68, 1865
7219316 CIFC2 H5 N O2P 317.0051; 7.0051; 5.4758
90; 90; 120
232.706Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude
Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine
CrystEngComm, 2015, 17, 1513
7219318 CIFC2 H5 N O2P 317.0047; 7.0047; 5.4772
90; 90; 120
232.739Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude
Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine
CrystEngComm, 2015, 17, 1513
7219317 CIFC2 H5 N O2P 317.0045; 7.0045; 5.4789
90; 90; 120
232.797Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude
Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine
CrystEngComm, 2015, 17, 1513
7219319 CIFC2 H5 N O2P 317.0055; 7.0055; 5.4774
90; 90; 120
232.8Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude
Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine
CrystEngComm, 2015, 17, 1513
4513293 CIFAs2 O3P 1 21 18.3192; 4.0286; 7.298
90; 106.84; 90
234.1Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
4512893 CIFC2 H5 N O2P 317.037; 7.037; 5.483
90; 90; 120
235.1Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua
Non-Topotactic Phase Transformations in Single Crystals of β-Glycine
Crystal Growth & Design, 2015, 15, 2568
7036521 CIFF6 Fe2 H12 O6P 4/n :27.83965; 7.83965; 3.87551
90; 90; 90
238.189Nénert, Gwilherm; Fabelo, Oscar; Forsberg, Kerstin; Colin, Claire V; Rodríguez-Carvajal, Juan
Structural and magnetic properties of the low-dimensional fluoride β-FeF3(H2O)2.H2O.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 14130-14138
4513291 CIFAs2 O3P 1 21 18.3494; 4.0797; 7.388
90; 106.91; 90
240.78Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
4513292 CIFAs2 O3P 1 21 18.3557; 4.0829; 7.385
90; 107.04; 90
240.9Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
1561804 CIFFe La O3P n m a5.56275; 7.8416; 5.54642
90; 90; 90
241.94Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip
Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3
Journal of Solid State Chemistry, 2015, 230, 337-342
4513290 CIFAs2 O3P 1 21 18.357; 4.0889; 7.4
90; 106.9; 90
241.94Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
1561805 CIFFe La O3P n m a5.56489; 7.85248; 5.55497
90; 90; 90
242.742Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip
Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3
Journal of Solid State Chemistry, 2015, 230, 337-342
7117254 CIFC12 H18P -15.246; 6.1956; 7.9824
103.859; 98.602; 100.131
242.93Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
9017112 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.5927; 4.5927; 13.332
90; 90; 120
243.535Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p10 Note: P = 40.80 GPa
American Mineralogist, 2015, 100, 2625-2629
4340063 CIFAl0.1 Ge2 LuC m c m4.0097; 15.708; 3.8766
90; 90; 90
244.17Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
4036254 CIFC11 H14 O3P 15.8748; 6.6516; 7.3831
67.621; 84.526; 66.767
244.64Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry
Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.
The Journal of organic chemistry, 2015, 80, 10464-10473
1561909 CIFB2 Ru5 Si0.9 Ti2.11P 4/m b m9.1081; 9.1081; 2.9522
90; 90; 90
244.91Xie, Weiwei; Fuccillo, M.K.; Phelan, B.F.; Luo, H.; Cava, R.J.
Stabilization of the Ti3Co5B2-type structure for Ti3−Si Ru5B2 through Si‒Ti substitution
Journal of Solid State Chemistry, 2015, 227, 92-97
7117255 CIFC12 H18P -15.2512; 6.2279; 7.9892
103.846; 98.464; 99.919
245Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
1561806 CIFFe La O3P n m a5.58483; 7.89328; 5.58514
90; 90; 90
246.208Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip
Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3
Journal of Solid State Chemistry, 2015, 230, 337-342
4341413 CIFCu4 La P3P 4/n m m :25.7881; 5.7881; 7.353
90; 90; 90
246.34Wang, Jian; Lee, Kathleen; Kovnir, Kirill
Distorted Phosphorus and Copper Square-Planar Layers in LaCu1+xP2 and LaCu4P3: Synthesis, Crystal Structure, and Physical Properties.
Inorganic chemistry, 2015, 54, 890-897
7036771 CIFB2 K O6 SbP m n 217.1133; 3.6883; 9.4096
90; 90; 90
246.87Zhao, Dan; Zhang, Rong-Hua; Li, Fei-Fei; Yang, Juan; Liu, Bing-Guo; Fan, Yun-Chang
(3 + 1)-Dimensional commensurately modulated structure and photoluminescence properties of diborate KSbOB2O5.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 6277-6287
7117256 CIFC12 H18P -15.2639; 6.2567; 8.0155
103.858; 98.504; 99.75
247.65Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
9017111 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6024; 4.6024; 13.517
90; 90; 120
247.959Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p9 Note: P = 37.58 GPa
American Mineralogist, 2015, 100, 2625-2629
4513295 CIFAs2 O3P 1 21 18.3873; 4.136; 7.49
90; 107.03; 90
248.43Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
7117257 CIFC12 H18P -15.2748; 6.2602; 8.0316
103.949; 98.651; 99.531
248.77Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
1518873 CIFAl2.96 Ce Pd3.04P 4/n m m :24.3045; 4.3045; 13.4426
90; 90; 90
249.07Tursina, Anna; Khamitcaeva, Emma; Gribanov, Alexander; Gnida, Daniel; Kaczorowski, Dariusz
CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of CaBe2Ge2- and CsCl-type Units.
Inorganic chemistry, 2015, 54, 3439-3445
4341867 CIFC3 Al Y3P m m a7.0256; 3.5647; 9.9585
90; 90; 90
249.4Kotyrba, Martin R.; Cuervo-Reyes, Eduardo; Nesper, Reinhard
Crystal Structure and Electronic Properties of Y3AlC3.
Inorganic chemistry, 2015, 54, 710-712
4340062 CIFAl0.13 Ge2 TmC m c m4.0353; 15.875; 3.8983
90; 90; 90
249.73Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
1561807 CIFFe La O3P n m a5.60478; 7.9347; 5.6185
90; 90; 90
249.867Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip
Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3
Journal of Solid State Chemistry, 2015, 230, 337-342
9017110 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.61; 4.61; 13.582
90; 90; 120
249.975Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p8 Note: P = 36.20 GPa
American Mineralogist, 2015, 100, 2625-2629
7223232 CIFC4 H3 Na O4P -15.3257; 6.488; 7.934
82.04; 87.928; 67.23
250.298Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
7117258 CIFC12 H18P -15.2944; 6.2771; 8.0612
104.026; 98.839; 99.456
251.09Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
2310769 CIF
Paper
B3.704 O10.148 Si0.296 Sr4P n m a12.089; 3.8635; 5.378
90; 90; 90
251.184Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav
Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497
1562112 CIFBa2 O TeP 4/n m m :25.03371; 5.03371; 9.9437
90; 90; 90
251.956Besara, T.; Ramirez, D.; Sun, J.; Whalen, J.B.; Tokumoto, T.D.; McGill, S.A.; Singh, D.J.; Siegrist, T.
Ba2TeO: A new layered oxytelluride
Journal of Solid State Chemistry, 2015, 222, 60-65
7223233 CIFC4 H3 Na O4P -15.3352; 6.5195; 7.9435
82.093; 87.953; 67.23
252.3Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
4348365 CIFC0 H3 B6 Bi3 O15P 316.62214; 6.62214; 6.65264
90; 90; 120
252.651Cong, Rihong; Wang, Ying; Kang, Lei; Zhou, Zhengyang; Lin, Zheshuai; Yang, Tao
An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine
Inorganic Chemistry Frontiers, 2015, 2, 170
9017109 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6193; 4.6193; 13.696
90; 90; 120
253.091Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p7 Note: P = 33.56 GPa
American Mineralogist, 2015, 100, 2625-2629
1561872 CIFAs2 F14 H2 HgP -15.0781; 6.6907; 7.7135
84.045; 79.277; 80.612
253.32Mazej, Zoran; Goreshnik, Evgeny A.
Synthesis and crystal structures of HgFAsF6, Hg(HF)2(AsF6)2, Hg(HF)(AsF6)2 and Hg(AsF6)(SO3F)
Journal of Solid State Chemistry, 2015, 228, 53-59
1518546 CIFC9 H5 F3 Mo O3P 16.453; 6.544; 6.7851
107.752; 97.132; 107.192
253.356Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.
Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation
Catal. Sci. Technol., 2015, 5, 2282
7223234 CIFC4 H3 Na O4P -15.3403; 6.5443; 7.9451
82.134; 87.969; 67.198
253.51Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
4342498 CIFCr Se2C 1 2/m 16.1705; 3.6053; 11.472
90; 95.218; 90
254.15Clarke, Samantha M.; Freedman, Danna E.
(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.
Inorganic chemistry, 2015, 54, 2765-2771
2310768 CIF
Paper
B3.376 O10.312 Si0.624 Sr4P n m a12.178; 3.8801; 5.387
90; 90; 90
254.55Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav
Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497
7223235 CIFC4 H3 Na O4P -15.3472; 6.5737; 7.9466
82.191; 87.998; 67.167
255.01Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
4340061 CIFAl0.15 Er Ge2C m c m4.0656; 16.018; 3.9199
90; 90; 90
255.27Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
2107280 CIF
Paper
Br K O3R 3 m :H6.0104; 6.0104; 8.162
90; 90; 120
255.35Santamaría-Pérez, David; Chulia-Jordan, Raquel; Rodríguez-Hernández, Placida; Muñoz, Alfonso
Crystal behavior of potassium bromate under compression
Acta Crystallographica Section B, 2015, 71, 798-804
1561858 CIFAg1.08 Ge2.92 Nd2I 41/a m d :24.1886; 4.1886; 14.557
90; 90; 90
255.39Sarkar, Sumanta; Mumbaraddi, Dundappa; Halappa, Pramod; Kalsi, Deepti; Rayaprol, Sudhindra; Peter, Sebastian C.
Structure and physical properties of RE2AgGe3 (RE=Ce, Pr, Nd) compounds
Journal of Solid State Chemistry, 2015, 229, 287-295
9017108 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6278; 4.6278; 13.797
90; 90; 120
255.897Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p6 Note: P = 31.19 GPa
American Mineralogist, 2015, 100, 2625-2629
1520321 CIFB Ga O3R -3 c :H4.5659; 4.5659; 14.1764
90; 90; 120
255.947Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth
Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3
Crystals, 2015, 5, 252
7223236 CIFC4 H3 Na O4P -15.3534; 6.6038; 7.9446
82.252; 88.021; 67.127
256.37Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
4513296 CIFAs2 O3P 1 21 18.4114; 4.1895; 7.614
90; 107.025; 90
256.56Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
9017107 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6301; 4.6301; 13.83
90; 90; 120
256.764Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p5 Note: P = 30.48 GPa
American Mineralogist, 2015, 100, 2625-2629
4340060 CIFAl0.16 Ge2 HoC m c m4.073; 16.097; 3.927
90; 90; 90
257.5Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
7223227 CIFC4 H3 K O4P -16.2337; 6.7932; 7.4636
67.872; 72.638; 63.296
258.35Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
2020050 CIF
HKL
Paper
Hg2 O11 Te2 V2P -15.4; 5.6093; 9.132
80.688; 72.99; 80.08
258.73Weil, Matthias
A linear bridging angle in the pyrovanadate group within the crystal structure of Hg~2~V~2~Te~2~O~11~
Acta Crystallographica Section C, 2015, 71
4512482 CIFLi0.19 N0.2 O2.8 Sr Ta0.81I 4/m c m5.67388; 5.67388; 8.0431
90; 90; 90
258.93Kim, Young-Il; Paik, Younkee; Avdeev, Maxim
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Crystal Growth & Design, 2015, 15, 53
2310767 CIF
Paper
B3.041 O10.479 Si0.959 Sr4P n m a12.2774; 3.9006; 5.4091
90; 90; 90
259.038Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav
Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497
7223228 CIFC4 H3 K O4P -16.2351; 6.8144; 7.4635
67.999; 72.7; 63.337
259.54Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
4340059 CIFAl0.17 Dy Ge2C m c m4.0823; 16.218; 3.933
90; 90; 90
260.39Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
9017106 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6416; 4.6416; 13.967
90; 90; 120
260.597Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p4 Note: P = 27.45 GPa
American Mineralogist, 2015, 100, 2625-2629
7223229 CIFC4 H3 K O4P -16.2374; 6.8401; 7.4662
68.133; 72.766; 63.394
261.08Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
1552503 CIFCr2 Mg O4C m c m2.85107; 9.4893; 9.67853
90; 90; 90
261.849Ishii, T.; Kojitani, H.; Fujino, K.; Yusa, H.; Mori, D.; Inaguma, Y.; Matsushita, Y.; Yamamura, K.; Akaogi, M.
High-pressure high-temperature transitions in MgCr2O4 and crystal structures of new Mg2Cr2O5 and post-spinel MgCr2O4 phases with implications for ultrahigh-pressure chromitites in ophiolites
American Mineralogist, 2015, 100, 59-65
4343240 CIFNa4 Np O5I 4/m7.53534; 7.53534; 4.6159
90; 90; 90
262.097Smith, Anna L.; Hen, Amir; Raison, Philippe E.; Colineau, Eric; Griveau, Jean-Christophe; Magnani, Nicola; Sanchez, Jean-Pierre; Konings, Rudy J. M.; Caciuffo, Roberto; Cheetham, Anthony K.
X-ray Diffraction, Mössbauer Spectroscopy, Magnetic Susceptibility, and Specific Heat Investigations of Na4NpO5 and Na5NpO6.
Inorganic chemistry, 2015, 54, 4556-4564
7034622 CIFBa Cu La O6 SbI 1 2/m 15.5683; 5.5683; 8.4637
90; 90.2877; 90
262.42Blanco, M. Cecilia; Paz, Sergio Alexis; Nassif, Vivian M.; Guimpel, Julio J.; Carbonio, Raúl E
Synthesis and characterization of the new two-dimensional Heisenberg antiferromagnet double perovskite BaLaCuSbO6.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10860-10866
1561857 CIFAg1.23 Ge2.77 Pr2I 41/a m d :24.2401; 4.2401; 14.611
90; 90; 90
262.68Sarkar, Sumanta; Mumbaraddi, Dundappa; Halappa, Pramod; Kalsi, Deepti; Rayaprol, Sudhindra; Peter, Sebastian C.
Structure and physical properties of RE2AgGe3 (RE=Ce, Pr, Nd) compounds
Journal of Solid State Chemistry, 2015, 229, 287-295
7223230 CIFC4 H3 K O4P -16.2401; 6.8687; 7.4695
68.27; 72.836; 63.45
262.78Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
9017105 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6473; 4.6473; 14.075
90; 90; 120
263.257Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p3 Note: P = 25.34 GPa
American Mineralogist, 2015, 100, 2625-2629
4340064 CIFAl0.17 Ge2 YC m c m4.1059; 16.301; 3.9465
90; 90; 90
264.14Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
7223231 CIFC4 H3 K O4P -16.2421; 6.8981; 7.4726
68.407; 72.903; 63.504
264.48Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
RSC Adv., 2015
4344777 CIFCo Cr2 Se4C 1 2/m 113.1019; 3.6278; 6.298
90; 117.838; 90
264.71Svitlyk, V.; Chernyshov, D.; Mozharivskyj, Y.; Yuan, F.; Zaharko, O.; Mezouar, M.
Temperature- and Pressure-Induced Spin Crossover in Co1+xCr2-xSe4 (x = 0.24): A Diffraction Study.
Inorganic chemistry, 2015, 55, 338
4512483 CIFN0.2 Na0.19 O2.8 Sr Ta0.81I 4/m c m5.7216; 5.7216; 8.0923
90; 90; 90
264.92Kim, Young-Il; Paik, Younkee; Avdeev, Maxim
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Crystal Growth & Design, 2015, 15, 53
9017104 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6554; 4.6554; 14.149
90; 90; 120
265.565Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p2 Note: P = 23.65 GPa
American Mineralogist, 2015, 100, 2625-2629
9017103 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6581; 4.6581; 14.213
90; 90; 120
267.075Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p1 Note: P = 22.50 GPa
American Mineralogist, 2015, 100, 2625-2629
7036919 CIF
HKL
Ca2 La Nb O6P 1 21/n 15.61386; 5.86564; 8.11572
90; 90.1608; 90
267.24Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu
Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors
Dalton Transactions, 2015, 44, 18536-18543
7036920 CIF
HKL
Ba0.6 Ca3.4 La2 Nb2 O12P 1 21/n 15.62249; 5.86915; 8.12955
90; 90.1512; 90
268.27Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu
Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors
Dalton Transactions, 2015, 44, 18536-18543
1561856 CIFAg1.06 Ce2 Ge2.94I 41/a m d :24.2754; 4.2754; 14.6855
90; 90; 90
268.44Sarkar, Sumanta; Mumbaraddi, Dundappa; Halappa, Pramod; Kalsi, Deepti; Rayaprol, Sudhindra; Peter, Sebastian C.
Structure and physical properties of RE2AgGe3 (RE=Ce, Pr, Nd) compounds
Journal of Solid State Chemistry, 2015, 229, 287-295
4340058 CIFAl0.21 Ge2 TbC m c m4.1499; 16.334; 3.9712
90; 90; 90
269.19Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
9017141 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6624; 4.6624; 14.33
90; 90; 120
269.771Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p23 Note: P = 20.24 GPa
American Mineralogist, 2015, 100, 2625-2629
4345988 CIFCu H OP 15.6999; 5.8758; 8.0662
88.8726; 87.4304; 90.2408
269.822Li, Yunguo; Lousada, Cláudio M; Soroka, Inna L; Korzhavyi, Pavel A
Bond network topology and antiferroelectric order in cuprice CuOH.
Inorganic chemistry, 2015, 54, 8969-8977
9017140 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6641; 4.6641; 14.341
90; 90; 120
270.175Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p22 Note: P = 19.78 GPa
American Mineralogist, 2015, 100, 2625-2629
7222459 CIFSnF d -3 m :16.467; 6.4665284; 6.4665284
90; 90; 90
270.42Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen
In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries
CrystEngComm, 2015, 17, 8500
4340057 CIFAl0.22 Gd Ge2C m c m4.1471; 16.46; 3.9711
90; 90; 90
271.07Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen
Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.
Inorganic chemistry, 2015, 54, 722-732
4123181 CIFC2 H12 B2 N2P 1 21/n 14.5761; 6.8112; 8.7189
90; 91.261; 90
271.69Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan
Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.
Journal of the American Chemical Society, 2015, 137, 134-137
9017139 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6686; 4.6686; 14.401
90; 90; 120
271.83Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p21 Note: P = 18.69 GPa
American Mineralogist, 2015, 100, 2625-2629
9017138 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6679; 4.6679; 14.4441
90; 90; 120
272.561Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p20 Note: P = 17.66 GPa
American Mineralogist, 2015, 100, 2625-2629
2020007 CIF
HKL
Paper
K S2 ScR -3 m :H3.8106; 3.8106; 21.719
90; 90; 120
273.12Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
2240611 CIF
HKL
C5 H8 O2P -16.7336; 6.7821; 7.2349
67.743; 75.518; 64.401
274.29Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian
Crystal structure of (<i>E</i>)-pent-2-enoic acid
Acta Crystallographica Section E, 2015, 71, o316
9017137 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6775; 4.6775; 14.528
90; 90; 120
275.273Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p19 Note: P = 16.42 GPa
American Mineralogist, 2015, 100, 2625-2629
4124275 CIFC F Mg O3 RbP -6 2 m9.016; 9.016; 3.9403
90; 90; 120
277.388Tran, T. Thao; He, Jiangang; Rondinelli, James M.; Halasyamani, P. Shiv
RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material.
Journal of the American Chemical Society, 2015, 150814134038006
9017136 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6826; 4.6826; 14.613
90; 90; 120
277.488Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p18 Note: P = 14.82 GPa
American Mineralogist, 2015, 100, 2625-2629
4343180 CIFCs O12 Se2 Ta3P -3 m 15.5153; 5.5153; 10.571
90; 90; 120
278.47Cao, Xue-Li; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao
Cs(TaO2)3(SeO3)2 and Cs(TiOF)3(SeO3)2: Structural and Second Harmonic Generation Changes Induced by the Different d(0)-TM Coordination Octahedra.
Inorganic chemistry, 2015, 54, 3875-3882
4344058 CIFAu4.93 Eu In1.07I 4/m m m7.1727; 7.1727; 5.4564
90; 90; 90
280.72Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena
From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.
Inorganic chemistry, 2015, 54, 8187-8196
9017135 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6929; 4.6929; 14.7382
90; 90; 120
281.098Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p17 Note: P = 12.73 GPa
American Mineralogist, 2015, 100, 2625-2629
9017134 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.6955; 4.6955; 14.7918
90; 90; 120
282.433Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p16 Note: P = 11.90 GPa
American Mineralogist, 2015, 100, 2625-2629
4344057 CIFAu4.75 Eu In1.25I 4/m m m7.1612; 7.1612; 5.5268
90; 90; 90
283.43Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena
From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.
Inorganic chemistry, 2015, 54, 8187-8196
9017133 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7017; 4.7017; 14.855
90; 90; 120
284.389Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p15 Note: P = 10.88 GPa
American Mineralogist, 2015, 100, 2625-2629
9017132 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7087; 4.7087; 14.9313
90; 90; 120
286.702Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p14 Note: P = 9.82 GPa
American Mineralogist, 2015, 100, 2625-2629
7221865 CIFF5 O2 Pb2 VP -15.6675; 7.3492; 8.3152
101.234; 108.995; 110.625
287.14Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad
Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6
CrystEngComm, 2015, 17, 8428
7037054 CIFF3 La3 O3R -3 m :H4.053; 4.053; 20.22
90; 90; 120
287.65Dabachi, Jamal; Body, Monique; Dittmer, Jens; Fayon, Franck; Legein, Christophe
Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, (19)F and (139)La solid state NMR and DFT calculations of the NMR parameters.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20675-20684
2020008 CIF
HKL
Paper
Rb S2 ScR -3 m :H3.8299; 3.8299; 22.656
90; 90; 120
287.8Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
9017131 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7146; 4.7146; 14.9903
90; 90; 120
288.556Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p13 Note: P = 9.17 GPa
American Mineralogist, 2015, 100, 2625-2629
7036561 CIFLi Lu Mo2 O8I 41/a :25.10332; 5.10332; 11.0829
90; 90; 90
288.642Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping
Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 18078-18089
2019921 CIF
HKL
Paper
C14 H10 N2 O4P -13.805; 8.6739; 9.9138
114.334; 96.159; 98.995
289.05Chen, Xiaocui; Wang, Yue; Han, Shumin; Wei, Yongju; Wang, Ruiyao
4,4'-Bipyridine-1,1'-diium acetylenedicarboxylate: a new member of the (H~2~bipy)[Cu(ox)~2~] (bipy is 4,4'-bipyridine and ox is oxalate) family
Acta Crystallographica Section C, 2015, 71
4344059 CIFAu5.03 Eu In0.98I 4/m m m7.248; 7.248; 5.507
90; 90; 90
289.3Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena
From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.
Inorganic chemistry, 2015, 54, 8187-8196
4344068 CIFBa In9 Ir2P 6/m m m8.8548; 8.8548; 4.2696
90; 90; 120
289.92Calta, Nicholas P.; Han, Fei; Kanatzidis, Mercouri G.
Synthesis, Structure, and Rigid Unit Mode-like Anisotropic Thermal Expansion of BaIr2In9.
Inorganic chemistry, 2015, 54, 8794-8799
9017130 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7177; 4.7177; 15.043
90; 90; 120
289.952Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p12 Note: P = 8.33 GPa
American Mineralogist, 2015, 100, 2625-2629
7236061 CIFC3 H6 N8P -16.2275; 7.017; 7.951
75.693; 69.567; 64.206
291.27Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic fused triazoles ‒ a promising C‒N fused heterocyclic cation
Journal of Materials Chemistry A, 2015, 3, 8606
7219471 CIFC5 H6 N4P -15.55795; 7.25941; 7.726
84.431; 71.913; 80.163
291.642Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee
Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine
CrystEngComm, 2015, 17, 2190
1561855 CIFGa4.369 Na0.85 O8 Ti0.511C 1 2/m 112.3463; 2.9855; 9.4088
90; 122.566; 90
292.279Hasegawa, Ryo; Okabe, Momoko; Asaka, Toru; Ishizawa, Nobuo; Fukuda, Koichiro
Structure and ionic conductivity of well-aligned polycrystalline sodium titanogallate grown by reactive diffusion
Journal of Solid State Chemistry, 2015, 229, 252-259
9017129 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7248; 4.7248; 15.1242
90; 90; 120
292.395Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p11 Note: P = 7.01 GPa
American Mineralogist, 2015, 100, 2625-2629
4513830 CIFC6 H12 OP 1 21/m 15.521; 8.3045; 6.716
90; 107.89; 90
293Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
1562002 CIF
HKL
B Li2 Na O8 P2P -15.4344; 7.3793; 7.984
103.243; 109.27; 87.391
294.04Hasegawa, Toru; Yamane, Hisanori
Synthesis and crystal structure analysis of Li2NaBP2O8 and LiNa2B5P2O14
Journal of Solid State Chemistry, 2015, 225, 65-71
9017128 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7332; 4.7332; 15.1926
90; 90; 120
294.763Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p10 Note: P = 6.33 GPa
American Mineralogist, 2015, 100, 2625-2629
7036921 CIF
HKL
Ba1.2 Ca0.8 La Nb O6C 1 2/m 110.263; 5.93291; 5.93977
90; 125.275; 90
295.26Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu
Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors
Dalton Transactions, 2015, 44, 18536-18543
1562162 CIFO4 Si ThP 1 21/n 16.4972; 6.9659; 6.7769
90; 105.066; 90
296.17Jin, Geng Bang; Soderholm, L.
Solid-state syntheses and single-crystal characterizations of three tetravalent thorium and uranium silicates
Journal of Solid State Chemistry, 2015, 221, 405-410
2020016 CIF
HKL
Paper
K S2 YbR -3 m :H3.9615; 3.9615; 21.81
90; 90; 120
296.42Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
7034617 CIFC4 H7 N5 OP -15.2515; 7.6906; 8.4915
67.229; 85.446; 70.13
296.854Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.
Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7586-7594
9017127 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7388; 4.7388; 15.287
90; 90; 120
297.296Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p9 Note: P = 5.20 GPa
American Mineralogist, 2015, 100, 2625-2629
4124699 CIF
HKL
Al2 Ca2 O7 SiP -4 21 m7.67231; 7.67231; 5.05923
90; 90; 90
297.81Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier
Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor
Journal of the American Chemical Society, 2015, 137, 12494-12497
9017126 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7415; 4.7415; 15.308
90; 90; 120
298.044Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p8 Note: P = 4.74 GPa
American Mineralogist, 2015, 100, 2625-2629
9017125 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7409; 4.7409; 15.319
90; 90; 120
298.183Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p7 Note: P = 4.39 GPa
American Mineralogist, 2015, 100, 2625-2629
7154784 CIFC6 H7 F O2P -15.391; 5.4434; 11.1433
84.283; 78.772; 68.545
298.37Goh, Yi Ling; Adsool, Vikrant A.
Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.
Organic & biomolecular chemistry, 2015, 13, 11597-11601
4124698 CIF
HKL
Al3 Ca4 Mg0.5 O14 Si2.5P -4 21 m7.69191; 7.69191; 5.04831
90; 90; 90
298.69Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier
Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor
Journal of the American Chemical Society, 2015, 137, 12494-12497
7219138 CIFAg Er0.02 Li Mo4 O16 Yb1.98I -45.151716; 5.151716; 11.26442
90; 90; 90
298.96Cheng, Fangrui; Xia, Zhiguo; Jing, Xiping; Wang, Ziyuan
Li/Ag ratio dependent structure and upconversion photoluminescence of LixAg1-xYb0.99(MoO4)2:0.01Er(3+) phosphors.
Physical chemistry chemical physics : PCCP, 2015, 17, 3689-3696
2020015 CIF
HKL
Paper
K S2 TmR -3 m :H3.9761; 3.9761; 21.841
90; 90; 120
299.03Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
4123310 CIFAu Nd SbP 63/m m c4.58003; 4.58003; 16.47753
90; 90; 120
299.336Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.
Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).
Journal of the American Chemical Society, 2015, 137, 1282-1289
9017124 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7426; 4.7426; 15.368
90; 90; 120
299.351Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p6 Note: P = 3.57 GPa
American Mineralogist, 2015, 100, 2625-2629
4512666 CIFCo1.478 O9 V3P -17.1792; 8.8975; 4.8117
90.281; 93.692; 102.185
299.755Drees, Yvo; Agrestini, Stefano; Zaharko, Oksana; Komarek, Alexander Christoph
Floating Zone Single Crystal Growth of γ-CoV2O6with Substantially Enhanced Crystal Size and Quality
Crystal Growth & Design, 2015, 15, 1168
7221763 CIFC4 H5 Br N2 OP -16.4176; 7.1023; 7.537
94.502; 100.535; 115.558
299.86Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.
Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach
CrystEngComm, 2015, 17, 7381
7036922 CIF
HKL
Ba1.6 Ca0.4 La Nb O6C 1 2/m 110.3628; 5.9652; 5.9606
90; 125.34; 90
300.57Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu
Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors
Dalton Transactions, 2015, 44, 18536-18543
7235819 CIFC4 H10 N12 O6P -16.6825; 6.931; 7.0089
73.212; 89.114; 75.819
300.79Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
4124696 CIF
HKL
Al2 Ca4 Mg O14 Si3P -4 21 m7.73707; 7.73707; 5.02948
90; 90; 90
301.08Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier
Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor
Journal of the American Chemical Society, 2015, 137, 12494-12497
4342795 CIFCd Ce2 O2 Se2P 42/n m c :14.03195; 4.03195; 18.5485
90; 90; 90
301.536Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.
Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.
Inorganic chemistry, 2015, 54, 7230-7238
2020014 CIF
HKL
Paper
Er K S2R -3 m :H3.9935; 3.9935; 21.866
90; 90; 120
302Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
9017123 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7581; 4.7581; 15.473
90; 90; 120
303.37Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p5 Note: P = 2.66 GPa
American Mineralogist, 2015, 100, 2625-2629
1518874 CIFAl3.94 Ce Pd4.07P 4/n m m :24.325; 4.325; 16.23
90; 90; 90
303.6Tursina, Anna; Khamitcaeva, Emma; Gribanov, Alexander; Gnida, Daniel; Kaczorowski, Dariusz
CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of CaBe2Ge2- and CsCl-type Units.
Inorganic chemistry, 2015, 54, 3439-3445
4513002 CIFC2 H5 N O2P 1 21/n 15.0855; 11.8018; 5.46
90; 111.973; 90
303.89Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua
Non-Topotactic Phase Transformations in Single Crystals of β-Glycine
Crystal Growth & Design, 2015, 15, 2568
2020013 CIF
HKL
Paper
Ho K S2R -3 m :H4.0098; 4.0098; 21.878
90; 90; 120
304.64Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
4124695 CIF
HKL
Al Ca4 Mg1.5 O14 Si3.5P -4 21 m7.79644; 7.79644; 5.0119
90; 90; 90
304.65Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier
Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor
Journal of the American Chemical Society, 2015, 137, 12494-12497
7036559 CIFAg Lu Mo2 O8I 41/a :25.172556; 5.172556; 11.39257
90; 90; 90
304.812Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping
Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 18078-18089
2020129 CIF
HKL
Paper
C4 H3 I N2 O2P 1 21 14.8929; 4.4195; 14.1348
90; 92.721; 90
305.31Lutz, Martin; de Klein, Thomas J. S.; Huijben, Jeroen
5-Iodouracil: structure of a reflection twin
Acta Crystallographica Section C, 2015, 71, 912-915
4513280 CIFAs2 O3P 1 21/n 17.9216; 4.50673; 8.7646
90; 102.548; 90
305.43Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
9017122 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7654; 4.7654; 15.531
90; 90; 120
305.442Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p4 Note: P = 2.12 GPa
American Mineralogist, 2015, 100, 2625-2629
4123311 CIFAu Ce SbP 63/m m c4.61403; 4.61403; 16.6348
90; 90; 120
306.697Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.
Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).
Journal of the American Chemical Society, 2015, 137, 1282-1289
4513299 CIFAs2 O3P 1 21/n 17.9307; 4.51054; 8.783
90; 102.53; 90
306.7Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
7036562 CIFEu Li Mo2 O8I 41/a :25.202625; 5.202625; 11.338236
90; 90; 90
306.896Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping
Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 18078-18089
9017121 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7714; 4.7714; 15.578
90; 90; 120
307.138Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p3 Note: P = 1.62 GPa
American Mineralogist, 2015, 100, 2625-2629
4124694 CIF
HKL
Ca2 Mg O7 Si2P -4 21 m7.83456; 7.83456; 5.00875
90; 90; 90
307.439Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier
Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor
Journal of the American Chemical Society, 2015, 137, 12494-12497
4340864 CIFF4.67 Na2 O3.33 V2P 1 21 16.3742; 3.5963; 14.3641
90; 110.787; 90
307.84Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.
Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability.
Inorganic chemistry, 2015, 54, 765-772
2020012 CIF
HKL
Paper
Dy K S2R -3 m :H4.0315; 4.0315; 21.89
90; 90; 120
308.11Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
4516500 CIFC6 H4 Li2 O4P 1 21/c 17.763; 5.0161; 8.7526
90; 115.232; 90
308.31Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J.
Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate
Crystal Growth & Design, 2015, 15, 5555
7219515 CIFC6 H4 Cl N O2P -17.1603; 7.2376; 7.495
63.2313; 69.7053; 64.984
308.331Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei
Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid
CrystEngComm, 2015, 17, 2389
9017120 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7753; 4.7753; 15.636
90; 90; 120
308.786Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p2 Note: P = .79 GPa
American Mineralogist, 2015, 100, 2625-2629
2019930 CIF
HKL
Paper
F2 Na O2 VP 1 21/c 16.3846; 3.6024; 14.387
90; 110.636; 90
309.67Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao
Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell
Acta Crystallographica Section C, 2015, 71
9017119 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7788; 4.7788; 15.685
90; 90; 120
310.208Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p1 Note: P = .22 GPa
American Mineralogist, 2015, 100, 2625-2629
1529277 CIF
HKL
Ca Er0.05 Gd1.5 O16 W4 Yb0.45C 1 2/c 17.31297; 11.38508; 5.20846
90; 134.325; 90
310.23Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor
Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4_Er3+Yb3+ phosphors with incommensurately modulated structure
Journal of Solid State Chemistry, 2015, 228, 160
9017118 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7799; 4.7799; 15.694
90; 90; 120
310.529Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p0 Note: P = .0001 GPa
American Mineralogist, 2015, 100, 2625-2629
1529276 CIF
HKL
Ca Er0.1 Gd1.7 O16 W4 Yb0.2C 1 2/c 17.29238; 11.39539; 5.20988
90; 134.098; 90
310.91Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor
Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4:Er3+/Yb3+ phosphors with incommensurately modulated structure
Journal of Solid State Chemistry, 2015, 228, 160
2020011 CIF
HKL
Paper
K S2 TbR -3 m :H4.0523; 4.0523; 21.885
90; 90; 120
311.23Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
1540578 CIF
HKL
Ca Er0.05 Gd1.5 Mo4 O16 Yb0.45I 41/a :25.21103; 5.21103; 11.47435
90; 90; 90
311.58Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov
Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties
Journal of the American Ceramic Society, 2015, 98, 3223-3230
2107479 CIF
HKL
Paper
Cr Fe O3R -3 :H5.077; 5.077; 13.9621
90; 90; 120
311.67Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi
At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO~3~
Acta Crystallographica Section B, 2015, 71, 555-561
7036923 CIF
HKL
Ba2 La Nb O6C 1 2/m 110.4771; 6.0588; 6.03093
90; 125.386; 90
312.11Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu
Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors
Dalton Transactions, 2015, 44, 18536-18543
1540577 CIF
HKL
Ca Er0.1 Gd1.7 Mo4 O16 Yb0.2I 41/a :25.21412; 5.21412; 11.48095
90; 90; 90
312.13Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov
Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties
Journal of the American Ceramic Society, 2015, 98, 3223-3230
1529275 CIF
HKL
Ca Er0.2 Gd1.8 O16 W4C 1 2/c 17.32393; 11.41202; 5.21863
90; 134.279; 90
312.28Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor
Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4:Er3+/Yb3+ phosphors with incommensurately modulated structure
Journal of Solid State Chemistry, 2015, 228, 160
9017102 CIFC Ca0.04 Mn0.96 O3R -3 c :H4.7903; 4.7903; 15.72
90; 90; 120
312.398Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p0 Note: P = .0001 GPa
American Mineralogist, 2015, 100, 2625-2629
1540576 CIF
HKL
Ca Er0.2 Gd1.8 Mo4 O16I 41/a :25.21601; 5.21601; 11.4875
90; 90; 90
312.54Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov
Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties
Journal of the American Ceramic Society, 2015, 98, 3223-3230
7219229 CIFCa O4 WI 41/a :25.244797; 5.244797; 11.3813
90; 90; 90
313.076Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.
Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals
CrystEngComm, 2015, 17, 1654
1529274 CIF
HKL
Ca Gd2 O16 W4C 1 2/c 17.33924; 11.4246; 5.22523
90; 134.368; 90
313.2Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor
Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4_Er3+Yb3+ phosphors with incommensurately modulated structure
Journal of Solid State Chemistry, 2015, 228, 160
7219232 CIFCa0.96 Eu0.04 O4 WI 41/a :25.24682; 5.24682; 11.38143
90; 90; 90
313.321Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.
Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals
CrystEngComm, 2015, 17, 1654
7219231 CIFCa0.98 Eu0.02 O4 WI 41/a :25.24643; 5.24643; 11.38357
90; 90; 90
313.333Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.
Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals
CrystEngComm, 2015, 17, 1654
2019931 CIF
HKL
Paper
F2 Na O2 VP 1 21/c 16.4; 3.614; 14.453
90; 110.369; 90
313.4Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao
Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell
Acta Crystallographica Section C, 2015, 71
7219230 CIFCa0.99 Eu0.01 O4 WI 41/a :25.24701; 5.24701; 11.3846
90; 90; 90
313.431Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.
Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals
CrystEngComm, 2015, 17, 1654
4123309 CIFAu La SbP 63/m m c4.63839; 4.63839; 16.83143
90; 90; 120
313.607Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.
Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).
Journal of the American Chemical Society, 2015, 137, 1282-1289
1540575 CIF
HKL
Ca Gd2 Mo4 O16I 41/a :25.22344; 5.22344; 11.50019
90; 90; 90
313.77Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov
Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties
Journal of the American Ceramic Society, 2015, 98, 3223-3230
4343241 CIFNa5 Np O6C 1 2/m 15.82924; 9.9962; 5.75771
90; 110.729; 90
313.784Smith, Anna L.; Hen, Amir; Raison, Philippe E.; Colineau, Eric; Griveau, Jean-Christophe; Magnani, Nicola; Sanchez, Jean-Pierre; Konings, Rudy J. M.; Caciuffo, Roberto; Cheetham, Anthony K.
X-ray Diffraction, Mössbauer Spectroscopy, Magnetic Susceptibility, and Specific Heat Investigations of Na4NpO5 and Na5NpO6.
Inorganic chemistry, 2015, 54, 4556-4564
4513279 CIFAs2 O3P 1 21/n 17.9615; 4.53586; 8.911
90; 102.155; 90
314.58Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
2240652 CIF
HKL
C6 H10 O2P -16.8556; 6.9894; 7.4967
79.477; 80.62; 63.654
315.12Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian
Crystal structure of (<i>E</i>)-hex-2-enoic acid
Acta Crystallographica Section E, 2015, 71, o323
4513000 CIFC2 H5 N O2P 1 21/n 15.124; 12.042; 5.496
90; 111.647; 90
315.2Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua
Non-Topotactic Phase Transformations in Single Crystals of β-Glycine
Crystal Growth & Design, 2015, 15, 2568
7223784 CIFBi0.55 Mo O4I 41/a5.239; 5.239; 11.567
90; 90; 90
317.5Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong
Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal
CrystEngComm, 2015, 17, 8746
4513031 CIFC4 H11 N2 O2P -15.1601; 7.4276; 8.5686
81.465; 86.299; 78.209
317.72Zhou, Yating; Guo, Fang; Hughes, Colan E.; Browne, Duncan L.; Peskett, Thomas R.; Harris, Kenneth D. M.
Discovery of New Metastable Polymorphs in a Family of Urea Co-Crystals by Solid-State Mechanochemistry
Crystal Growth & Design, 2015, 15, 2901
4513829 CIFC6 H12 OP 1 21/m 15.684; 8.567; 6.8598
90; 107.97; 90
317.74Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
7221562 CIFC2 H6 Na2 O14 P2 V2P -16.3255; 6.776; 8.0759
104.992; 101.679; 99.12
319.2Hameed, A. Shahul; Reddy, M. V.; Sarkar, Nirjhar; Chowdari, B. V. R.; Vittal, Jagadese J.
Synthesis and electrochemical investigation of novel phosphite based layered cathodes for Li-ion batteries
RSC Adv., 2015, 5, 60630
7220357 CIFC12 H12 N2 O4 PdP -14.8536; 7.8906; 8.8251
78.1348; 86.3966; 75.122
319.65Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli
Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network
CrystEngComm, 2015, 17, 4383
7036560 CIFAg Eu Mo2 O8I 41/a :25.26334; 5.26334; 11.543334
90; 90; 90
319.782Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping
Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 18078-18089
4513278 CIFAs2 O3P 1 21/n 17.9853; 4.55112; 9
90; 102.014; 90
319.91Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
4124125 CIFLi6.5 O8 P1.5 Si0.5P n m a10.52587; 6.11525; 4.97031
90; 90; 90
319.931Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful
Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.
Journal of the American Chemical Society, 2015, 137, 9136-9145
2020010 CIF
HKL
Paper
K S2 SmR -3 m :H4.1174; 4.1174; 21.888
90; 90; 120
321.35Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
7218677 CIFF4 Mg SrC m c 213.937; 14.488; 5.638
90; 90; 90
321.6Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.
Structures and optical properties of two phases of SrMgF4.
Physical chemistry chemical physics : PCCP, 2015, 17, 500-508
2240439 CIF
HKL
C2 Ca Co0.17 Mg0.83 O6R -34.8158; 4.8158; 16.0488
90; 90; 120
322.337Perchiazzi, Natale
Crystal structure study of a cobaltoan dolomite from Kolwezi, Democratic Republic of Congo
Acta Crystallographica Section E, 2015, 71, i3
7036618 CIFC8 H10 Mn N12P -13.4751; 7.7427; 12.428
101.48; 96.04; 96.73
322.6Mautner, Franz A.; Berger, Christian; Scherzer, Michael; Fischer, Roland C.; Maxwell, Lindley; Ruiz, Eliseo; Vicente, Ramon
Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 18632-18642
7221761 CIFC4 H5 I N2 OP -16.5261; 7.3488; 7.6401
96.998; 100.396; 113.411
323.04Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.
Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach
CrystEngComm, 2015, 17, 7381
8107630 CIFC2 Cd F Li2 O6 RbP 63/m4.915; 4.915; 15.45
90; 90; 120
323.2Chen, Jie; Luo, Min; Ye, Ning
Crystal structure of a new alkaline-cadmium carbonate Li2RbCd(CO3)2F, C2CdFLi2O6Rb
Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 1-2
4344056 CIFAu0.46 Eu In1.53I m m a4.9018; 7.8237; 8.4457
90; 90; 90
323.89Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena
From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.
Inorganic chemistry, 2015, 54, 8187-8196
4124126 CIFLi7 O8 P SiP n m a10.58917; 6.1152; 5.00565
90; 90; 90
324.14Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful
Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.
Journal of the American Chemical Society, 2015, 137, 9136-9145
4513831 CIFC6 H12 OP 1 21/m 15.678; 8.6234; 6.9697
90; 108.215; 90
324.16Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
4512622 CIFC4 H12 I4 N2P -16.5186; 7.495; 8.1312
64.635; 68.06; 69.507
324.3Bujak, Maciej
Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion
Crystal Growth & Design, 2015, 15, 1295
7219429 CIFC3 H7 N O2P 1 21/c 15.2593; 13.1; 4.7408
90; 94.32; 90
325.7Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.
β-Alanine under pressure: towards understanding the nature of phase transitions
CrystEngComm, 2015, 17, 2074
7220415 CIFC4 H4 N8P 1 21/n 14.9579; 6.4613; 10.181
90; 92.28; 90
325.88Wu, L.-C.; Chung, W.-C.; Wang, C.-C.; Lee, G.-H.; Lu, S.-I.; Wang, Y.
A charge density study of π-delocalization and intermolecular interactions.
Physical chemistry chemical physics : PCCP, 2015, 17, 14177-14184
4513832 CIFC6 H12 OP 1 21/m 15.694; 8.6422; 6.977
90; 108.275; 90
326.01Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
4513833 CIFC6 H12 OP 1 21/m 15.6991; 8.6352; 6.9739
90; 108.17; 90
326.09Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
7033693 CIFLa O4 TaP 1 21/c 17.63455; 5.57528; 7.81819
90; 101.459; 90
326.147Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip
Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10673-10680
7218933 CIFC6 H8 Cl0 Cu N14 O2P -17.1861; 7.5759; 7.6549
89.212; 63.414; 64.027
326.31Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli
Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance
Green Chem., 2015, 17, 831-836
7033691 CIFLa O4 TaC m c 213.93494; 14.7566; 5.63262
90; 90; 90
327.066Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip
Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10673-10680
7116635 CIFC16 H4 Cl2 N4P -14.7573; 7.941; 8.892
92.898; 100.56; 94.347
328.6Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao
Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines
Chem.Commun., 2015, 51, 4275
2020009 CIF
HKL
Paper
K Nd S2R -3 m :H4.1626; 4.1626; 21.8996
90; 90; 120
328.62Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
7033694 CIFLa O4 TaC m c 213.94615; 14.70587; 5.66392
90; 90; 90
328.686Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip
Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10673-10680
7220851 CIFCa Ho0.05 La1.5 Mo4 O16 Yb0.45I 41/a :25.29961; 5.29961; 11.70466
90; 90; 90
328.736Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
4513277 CIFAs2 O3P 1 21/n 18.0256; 4.57553; 9.142
90; 101.666; 90
328.77Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
7220853 CIFCa Ho0.05 La1.45 Mo4 O16 Yb0.5I 41/a :25.29843; 5.29843; 11.71297
90; 90; 90
328.822Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
4513300 CIFAs2 O3P 1 21/n 18.029; 4.57732; 9.141
90; 101.65; 90
329.02Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
Crystal Growth & Design, 2015, 15, 3950
7220852 CIFCa Ho0.05 La1.55 Mo4 O16 Yb0.4I 41/a :25.30206; 5.30206; 11.71178
90; 90; 90
329.24Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
7033692 CIFLa O4 TaC m c 213.94781; 14.68792; 5.67864
90; 90; 90
329.277Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip
Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10673-10680
7220855 CIFCa Ho0.05 La1.6 Mo4 O16 Yb0.35I 41/a :25.303003; 5.303003; 11.71619
90; 90; 90
329.481Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
4513834 CIFC6 H12 OP 1 21/m 15.725; 8.6801; 6.9895
90; 108.21; 90
329.94Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
4342920 CIFO6 Rb Sc Se2P 63 m c5.5929; 5.5929; 12.2326
90; 90; 120
331.378Song, Seung Yoon; Ok, Kang Min
Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs).
Inorganic chemistry, 2015, 54, 5032-5038
4512926 CIFC3 H4 Cu2 N4 SP 1 21 13.6697; 12.7871; 7.1036
90; 93.258; 90
332.8Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco
Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives
Crystal Growth & Design, 2015, 15, 2929
4513835 CIFC6 H12 OP 1 21/m 15.7409; 8.7209; 7.0062
90; 108.314; 90
333Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
1529357 CIFC6 H14 Mn N8 O8P -15.2482; 6.533; 10.6128
90.532; 102.774; 109.139
333.93Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís
Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.
Molecules (Basel, Switzerland), 2015, 20, 12341-12363
2106645 CIF
Paper
Ba0.56 Ce0.886 O3 Pr0.44P n m a6.18949; 8.74009; 6.21421
90; 90; 90
336.168Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106646 CIF
Paper
Ba0.56 Ce0.886 O3 Pr0.44P n m a6.18949; 8.74009; 6.21421
90; 90; 90
336.168Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106647 CIF
Paper
Ba Ce0.2 O3 Pr0.8P n m a6.18949; 8.74009; 6.21421
90; 90; 90
336.168Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106648 CIF
Paper
Ba Ce0.2 O3 Pr0.8P n m a6.18949; 8.74009; 6.21421
90; 90; 90
336.168Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106649 CIF
Paper
Ba0.99 Ce0.2 O3 Pr0.79P n m a6.18949; 8.74009; 6.21421
90; 90; 90
336.168Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106650 CIF
Paper
Ba0.99 Ce0.2 O3 Pr0.79P n m a6.18949; 8.74009; 6.21421
90; 90; 90
336.168Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
4513836 CIFC6 H12 OP 1 21/m 15.7643; 8.7576; 7.0178
90; 108.25; 90
336.45Sobczak, Szymon; Katrusiak, Andrzej
Singularities in Molecular Conformation
Crystal Growth & Design, 2015, 15, 5530-5534
1561775 CIFB50 Fe1.01P 42/n n m :28.4155; 8.4155; 4.7516
90; 90; 90
336.51Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7220854 CIFCa La2 Mo4 O16I 41/a :25.33701; 5.33701; 11.82903
90; 90; 90
336.93Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
7219985 CIFC14 H8 D6 N4 O6P -13.7233; 7.4294; 12.3158
98.262; 90.019; 91.709
336.99Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.
Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal
CrystEngComm, 2015, 17, 5273
1540706 CIFC7 H5 N O4P -14.9472; 7.4767; 10.3691
68.856; 86.708; 70.864
337.15Zhurov, Vladimir V.; Pinkerton, A. Alan
Inter- and Intramolecular Interactions in Crystalline 2-Nitrobenzoic Acid-An Experimental and Theoretical QTAIM Analysis.
The journal of physical chemistry. A, 2015, 119, 13092-13100
2106639 CIF
Paper
Ba0.625 Ce0.9 O3 Pr0.375P n m a6.19647; 8.74999; 6.22045
90; 90; 90
337.267Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106640 CIF
Paper
Ba0.625 Ce0.9 O3 Pr0.375P n m a6.19647; 8.74999; 6.22045
90; 90; 90
337.267Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106641 CIF
Paper
Ba Ce0.4 O3 Pr0.6P n m a6.19647; 8.74999; 6.22045
90; 90; 90
337.267Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106642 CIF
Paper
Ba Ce0.4 O3 Pr0.6P n m a6.19647; 8.74999; 6.22045
90; 90; 90
337.267Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106643 CIF
Paper
Ba0.991 Ce0.396 O3 Pr0.594P n m a6.19647; 8.74999; 6.22045
90; 90; 90
337.267Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106644 CIF
Paper
Ba0.991 Ce0.396 O3 Pr0.594P n m a6.19647; 8.74999; 6.22045
90; 90; 90
337.267Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106633 CIF
Paper
Ba0.71 Ce0.92 O3 Pr0.29P n m a6.20345; 8.75952; 6.22537
90; 90; 90
338.282Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106634 CIF
Paper
Ba0.71 Ce0.92 O3 Pr0.29P n m a6.20345; 8.75952; 6.22537
90; 90; 90
338.282Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106635 CIF
Paper
Ba Ce0.6 O3 Pr0.4P n m a6.20345; 8.75952; 6.22537
90; 90; 90
338.282Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106636 CIF
Paper
Ba Ce0.6 O3 Pr0.4P n m a6.20345; 8.75952; 6.22537
90; 90; 90
338.282Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106637 CIF
Paper
Ba0.995 Ce0.597 O3 Pr0.4P n m a6.20345; 8.75952; 6.22537
90; 90; 90
338.282Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106638 CIF
Paper
Ba0.995 Ce0.597 O3 Pr0.4P n m a6.20345; 8.75952; 6.22537
90; 90; 90
338.282Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
7033686 CIFCr Mn2 O6 SbR -3 :H5.2084; 5.2084; 14.4
90; 90; 120
338.3Dos Santos-García, Antonio J; Solana-Madruga, Elena; Ritter, Clemens; Ávila-Brande, David; Fabelo, Oscar; Sáez-Puche, Regino
Synthesis, structures and magnetic properties of the dimorphic Mn2CrSbO6 oxide.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10665-10672
4342512 CIFCo Li2 S4 SnP 1 n 16.3432; 6.7184; 7.9404
90; 89.988; 90
338.389Brant, Jacilynn A.; Clark, Daniel J.; Kim, Yong Soo; Jang, Joon I.; Weiland, Ashley; Aitken, Jennifer A.
Outstanding Laser Damage Threshold in Li2MnGeS4 and Tunable Optical Nonlinearity in Diamond-Like Semiconductors.
Inorganic chemistry, 2015, 54, 2809-2819
7035080 CIFC12 H16 N4 S2P -17.0196; 7.2219; 7.4813
87.479; 65.56; 78.797
338.42Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin
Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 8797-8800
1529271 CIF
HKL
B4 Mn5.64 Ni6.36 O20P b a m9.1757; 12.3163; 2.9978
90; 90; 90
338.78Bezmaternykh, Leonard; Kolesnikova, Evgeniya; Eremin, Evgeniy; Seryotkin, Yuriy; Molokeev, Maxim; Volkov, Nikita
Spin-lattice coupling and peculiarities of magnetic behavior of ferrimagnetic ludwigites Mn0.5(2+)M1.5(2+)Mn(3+)BO5 (M=Cu, Ni)
Solid State Phenomena, 2015, 233, 133
2106627 CIF
Paper
Ba0.83 Ce0.95 O3 Pr0.17P n m a6.21025; 8.76826; 6.22886
90; 90; 90
339.181Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106628 CIF
Paper
Ba0.83 Ce0.95 O3 Pr0.17P n m a6.21025; 8.76826; 6.22886
90; 90; 90
339.181Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106629 CIF
Paper
Ba Ce0.8 O3 Pr0.2P n m a6.21025; 8.76826; 6.22886
90; 90; 90
339.181Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106630 CIF
Paper
Ba Ce0.8 O3 Pr0.2P n m a6.21025; 8.76826; 6.22886
90; 90; 90
339.181Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106631 CIF
Paper
Ba Ce0.8 O3 Pr0.2P n m a6.21025; 8.76826; 6.22886
90; 90; 90
339.181Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106632 CIF
Paper
Ba Ce0.8 O3 Pr0.2P n m a6.21025; 8.76826; 6.22886
90; 90; 90
339.181Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
4123465 CIFEu0.01 Gd0.99 Na O4 SiI m m a6.8051; 5.4529; 9.1425
90; 90; 90
339.26Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João
Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.
Journal of the American Chemical Society, 2015, 137, 3051-3058
7223142 CIFC4 H20 Mn N2 O10 S2P -15.4228; 6.6958; 9.9304
104.871; 95.917; 99.602
339.56Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath
Organically Templated Linear Metal Sulfites
RSC Adv., 2015
1561754 CIFB50 Fe1.324P 42/n n m :28.4398; 8.4398; 4.775
90; 90; 90
340.12Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
2106625 CIF
Paper
Ba Ce O3P n m a6.21664; 8.77789; 6.23629
90; 90; 90
340.308Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
2106626 CIF
Paper
Ba Ce O3P n m a6.21664; 8.77789; 6.23629
90; 90; 90
340.308Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.
Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}
Acta Crystallographica Section B, 2015, 71, 455-462
1551968 CIFC6 H6 F6P 1 21 15.556; 5.842; 10.511
90; 93.54; 90
340.5Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan
All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane
Nature Chemistry, 2015, 7, 483-488
4512563 CIFO5 Ti3I 1 2/c 19.9695; 5.0739; 7.1817
90; 109.863; 90
341.67Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi
Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway
Crystal Growth & Design, 2015, 15, 653
4123466 CIFEu0.01 Gd0.99 Na O4 SiP n m a6.8161; 5.4758; 9.1617
90; 90; 90
341.95Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João
Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.
Journal of the American Chemical Society, 2015, 137, 3051-3058
4512562 CIFO10 Ti6P 1 2/a 19.9651; 5.0604; 7.2114
90; 109.332; 90
343.15Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi
Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway
Crystal Growth & Design, 2015, 15, 653
7220826 CIFC6 H8 Fe N10 O2 S2P -16.046; 6.82; 9.086
83.37; 81.332; 68.356
343.5Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan
A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism
CrystEngComm, 2015, 17, 5396
1561774 CIFB50 Fe1.01P 42/n n m :28.4765; 8.4765; 4.7855
90; 90; 90
343.84Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4342326 CIFCa In1.67 Na5 Sb4P m c 214.7609; 9.168; 7.8898
90; 90; 90
344.37Wang, Yi; Stoyko, Stanislav; Bobev, Svilen
Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.
Inorganic chemistry, 2015, 54, 1931-1939
7234008 CIFAl2 O4 SrP -3 1 c6.1456; 6.1456; 10.5585
90; 90; 120
345.35Xufan Li; John D. Budai; Feng Liu; Yu-Sheng Chen; Jane Y. Howe; Chengjun Sun; Jonathan Z. Tischler; Richard S. Meltzer; Zhengwei Pan
Crystal structures and optical properties of new quaternary strontium europium aluminate luminescent nanoribbons
Journal of Materials Chemistry C, 2015, 3, 778-788
3500025 CIFC10 H8P 1 21/c 17.7082; 5.9107; 7.7227
90; 100.378; 90
346.1Tobias Stürzer; Saulius Gražulis
A structure of Azulene
Personal communication to COD, 2015
4123949 CIFC8 H8 B NP 1 21/c 18.1542; 5.7395; 7.759
90; 107.059; 90
347.15Brown, Alec N.; Li, Bo; Liu, Shih-Yuan
Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.
Journal of the American Chemical Society, 2015, 137, 8932-8935
7036868 CIFMn2 O6 Sb ScR 3 :H5.3419; 5.3419; 14.0603
90; 90; 120
347.47Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R
High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20441-20448
7036870 CIFMn2 O6 Sb ScR 3 :H5.3419; 5.3419; 14.0603
90; 90; 120
347.47Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R
High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20441-20448
1561851 CIFEu0.91 K0.09 Mo O4I 41/a :25.3857; 5.3857; 11.9827
90; 90; 90
347.57Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad
Synthesis, characterization, and properties of reduced europium molybdates and tungstates
Journal of Solid State Chemistry, 2015, 229, 173-180
7035783 CIFC10 H10 Au Cl4 N3P -14.3301; 8.8484; 9.5177
75.735; 79.898; 89.85
347.627Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti
Weak aurophilic interactions in a series of Au(iii) double salts.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 14523-14531
1561753 CIFB50 Fe1.324P 42/n n m :28.5081; 8.5081; 4.8099
90; 90; 90
348.18Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4512517 CIFC8 H11 NP 1 21 15.1685; 5.5274; 12.422
90; 100.871; 90
348.51Bąk, Joanna M.; Gajda, Roman; Woźniak, Krzysztof
New High Pressure Crystal Structures of 2,2-Dimethylbutane and 2,3-Dimethylaniline: Combined X-ray, Raman, and Theoretical Studies
Crystal Growth & Design, 2015, 15, 45
1561849 CIFEu Mo O4I 41/a :25.3909; 5.3909; 12.006
90; 90; 90
348.916Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad
Synthesis, characterization, and properties of reduced europium molybdates and tungstates
Journal of Solid State Chemistry, 2015, 229, 173-180
1561852 CIFEu0.9 K0.1 O4 WI 41/a :25.4101; 5.4101; 11.9246
90; 90; 90
349.02Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad
Synthesis, characterization, and properties of reduced europium molybdates and tungstates
Journal of Solid State Chemistry, 2015, 229, 173-180
7055094 CIFF2 Mg5 O8 Si2P 1 21/c 17.774; 4.6585; 10.254
90; 109.516; 90
350.02Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua
Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2
New J. Chem., 2015, 39, 8866
1561850 CIFEu O4 WI 41/a :25.4145; 5.4145; 11.9494
90; 90; 90
350.32Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad
Synthesis, characterization, and properties of reduced europium molybdates and tungstates
Journal of Solid State Chemistry, 2015, 229, 173-180
1561752 CIFB50 Fe1.324P 42/n n m :28.5287; 8.5287; 4.8182
90; 90; 90
350.47Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7221946 CIF
HKL
Ca4 Ho0.02 In7.4 O16 Yb0.4P n m a9.65081; 3.21627; 11.30393
90; 90; 90
350.87Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei
Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors
RSC Advances, 2015, 5, 59403-59407
4341641 CIFC10 H14 Co N4 O8P -15.5524; 7.1608; 9.4616
81.68; 88.202; 70.571
350.98Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M
Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.
Inorganic chemistry, 2015, 54, 241-252
1561773 CIFB50 Fe1.01P 42/n n m :28.5446; 8.5446; 4.8209
90; 90; 90
351.97Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
9017092 CIFFe2.017 Mg1.983 O5C m c m2.8889; 9.7282; 12.5523
90; 90; 90
352.767Ballaran, T. B.; Uenver-Thiele L; Woodland, A. B.
Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member
American Mineralogist, 2015, 100, 628-632
7221947 CIF
HKL
Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4P n m a9.67494; 3.22534; 11.33068
90; 90; 90
353.57Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei
Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors
RSC Advances, 2015, 5, 59403-59407
4516551 CIFC10 H12 Cl2 Cu N4 O4P -15.0783; 7.5176; 9.9479
73.15; 83.485; 77.841
354.76Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca
Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction
Crystal Growth & Design, 2015, 15, 5910
7117552 CIFC5 H8 B F3 N2P 1 21/m 17.169; 6.8769; 7.474
90; 105.675; 90
354.77Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P
[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging
Chemical Communications (Cambridge, United Kingdom), 2015, 51, 12439-12442
1561726 CIFAg0.5 As2 La Zn0.5I 4/m m m4.13; 4.13; 20.816
90; 90; 90
355.06Ramachandran, Krishna K.; Genet, Clément; Mar, Arthur
Quaternary rare-earth arsenides REAg1−Zn As2 (RE=La‒Nd, Sm, Gd‒Dy) with tetragonal SrZnBi2- and HfCuSi2-type structures
Journal of Solid State Chemistry, 2015, 231, 204-211
4002161 CIFAl2 O8 Si2 SrP 63/m c m5.197476; 5.197476; 15.20507
90; 90; 120
355.716Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu
Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics
Chemistry of Materials, 2015, 150106064151000
4002158 CIFAl2.062 O8 Si1.938 Sr1.031P 63/m c m5.196294; 5.196294; 15.21997
90; 90; 120
355.903Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu
Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics
Chemistry of Materials, 2015, 150106064151000
1551971 CIFC6 H7 F5 OP 1 21 15.7119; 5.5655; 11.244
90; 93.724; 90
356.69Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan
All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane
Nature Chemistry, 2015, 7, 483-488
4002159 CIFAl2.179 O8 Si1.82 Sr1.09P 63/m c m5.199956; 5.199956; 15.24875
90; 90; 120
357.079Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu
Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics
Chemistry of Materials, 2015, 150106064151000
4342598 CIFAl4 Bi2 O9P b a m7.724904; 8.115684; 5.698222
90; 90; 90
357.238Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin
Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.
Inorganic chemistry, 2015, 54, 1876-1882
4002157 CIFAl2.286 O8 Si1.714 Sr1.143P 63/m c m5.200894; 5.200894; 15.2684
90; 90; 120
357.668Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu
Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics
Chemistry of Materials, 2015, 150106064151000
4123273 CIFF3 Nb2 O2I 1 2/a 15.7048; 5.161; 12.2285
90; 95.751; 90
358.225Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.
Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.
Journal of the American Chemical Society, 2015, 137, 636-639
7221948 CIF
HKL
Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4P n m a9.7188; 3.23908; 11.3825
90; 90; 90
358.32Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei
Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors
RSC Advances, 2015, 5, 59403-59407
4002160 CIFAl1.174 O4 Si0.826 Sr0.587P 63/m c m5.202893; 5.202893; 15.29364
90; 90; 120
358.535Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu
Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics
Chemistry of Materials, 2015, 150106064151000
7117022 CIFC8 H10 N14 O4P -15.4207; 6.797; 10.53
82.822; 77.868; 71.33
358.65Jiaheng Zhang; Damon A. Parrish; Jean'ne M. Shreeve
Curious cases of 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic cocrystals with high nitrogen content: an alternative to salt formation
Chem.Commun., 2015, 51, 7337
7219325 CIFC12 H12 Cu2 N2 O10P -16.2937; 6.8393; 9.545
99.689; 90.764; 116.946
359.1Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming
In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties
CrystEngComm, 2015, 17, 1871
1561772 CIFB50 Fe1.01P 42/n n m :28.6077; 8.6077; 4.8556
90; 90; 90
359.76Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7116636 CIFC16 H4 Cl4 N4P -15.8383; 6.0989; 10.5832
82.636; 76.077; 82.498
360.8Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao
Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines
Chem.Commun., 2015, 51, 4275
7235820 CIFC6 H10 N18 O2P -16.3741; 7.8143; 8.4826
66.716; 69.319; 76.365
360.81Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
7037019 CIFAs7 Sm4.4 Zn4P -3 m 14.1703; 4.1703; 23.981
90; 90; 120
361.19Lin, Xinsong; Tabassum, Danisa; Mar, Arthur
Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20254-20264
2241123 CIF
Paper
C9 H6 O2P -13.863; 8.3; 11.749
101.44; 93.8; 99.83
361.84Venturini, Chiara; Ratel-Ramond, Nicolas; Gourdon, Andre
Crystal structure of 3-ethynylbenzoic acid
Acta Crystallographica Section E, 2015, 71, o750-o751
1518348 CIFC7 H7 Cr2 O7 P3P -16.9134; 7.3239; 8.761
111.796; 92.15; 115.204
362.43Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.
Synthesis of arsenic-rich Asnligand complexes from yellow arsenic
Chem. Sci., 2015, 6, 1379
7235825 CIFC4 H10 N16 O8P -16.5046; 7.701; 8.4831
97.897; 107.262; 111.478
362.85Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
1561751 CIFB50 Fe1.324P 42/n n m :28.6397; 8.6397; 4.88
90; 90; 90
364.26Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4516363 CIFC4 H4 N2P 1 21/n 111.109; 9.2258; 3.555
90; 90.73; 90
364.3Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
7037304 CIFCu O16 S2 Sb6P -15.5342; 7.6706; 9.2374
96.505; 93.818; 109.733
364.42Zimmermann, Iwan; Kremer, Reinhard K.; Hu, Shichao; Johnsson, Mats
Synthesis, crystal structure and magnetic properties of a new copper oxo-antimony sulphate CuSb6O8(SO4)2.
Dalton transactions (Cambridge, England : 2003), 2015, 45, 392-396
4342601 CIFAl3 Bi2 Ga O9P b a m7.77916; 8.162; 5.74297
90; 90; 90
364.641Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin
Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.
Inorganic chemistry, 2015, 54, 1876-1882
7234481 CIFCu2.2 Fe0.6 Se4 Sn Zn0.2I -4 2 m5.682492; 5.682492; 11.32378
90; 90; 90
365.653Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas
Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides
Journal of Materials Chemistry C, 2015, 3, 10436-10441
7235826 CIFC4 H10 N16 O8P -16.5155; 7.7748; 8.5036
97.677; 107.306; 112.194
365.76Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
7034873 CIFCu2.2 Se3.9 Sn Te0.1 Zn0.78I -4 2 m5.68351; 5.68351; 11.3311
90; 90; 90
366.02Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.
Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).
Dalton transactions (Cambridge, England : 2003), 2015, 44, 9014-9019
2241090 CIF
HKL
Paper
C6 H12 O6P -15.43124; 7.2727; 10.1342
69.12; 83.907; 78.381
366.09Ishii, Tomohiko; Senoo, Tatsuya; Yoshihara, Akihide; Fukada, Kazuhiro; Sakane, Genta
Crystal structure of β-<small>D</small>,<small>L</small>-fructose
Acta Crystallographica Section E, 2015, 71, o719-o720
7234480 CIFCu2.2 Fe0.8 Se4 SnI -4 2 m5.692729; 5.692729; 11.29822
90; 90; 90
366.143Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas
Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides
Journal of Materials Chemistry C, 2015, 3, 10436-10441
7235822 CIFC4 H10 N16 O8P -16.5168; 7.7826; 8.5072
97.717; 107.34; 112.14
366.35Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
7234479 CIFCu2.1 Fe0.9 Se4 SnI -4 2 m5.6898; 5.6898; 11.31972
90; 90; 90
366.463Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas
Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides
Journal of Materials Chemistry C, 2015, 3, 10436-10441
4344468 CIFCa3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8P n m a6.95409; 5.58264; 9.45199
90; 90; 90
366.95Zhiguo Xia; Shihai Miao; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu
Structure, crystallographic Sites and Tunable Luminescence Properties of Eu2+ and Ce3+/Li±activated Ca1.65Sr0.35SiO4 Phosphor
Inorganic Chemistry, 2015, 54, 7684-7691
7221942 CIF
HKL
Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8P n m a6.95409; 5.58264; 9.45199
90; 90; 90
366.95Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu
Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
Journal of Materials Chemistry C, 2015, 3, 4616-4622
7221941 CIF
HKL
Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475P n m a6.95269; 5.58722; 9.45515
90; 90; 90
367.3Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu
Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
Journal of Materials Chemistry C, 2015, 3, 4616-4622
7235884 CIFC8 H20 N14 NiP -16.7483; 8.2141; 8.2854
113.252; 112.492; 97.526
367.73Chen, Dong; Huang, Shiliang; Zhang, Qi; Yu, Qian; Zhou, Xiaoqing; Li, Hongzhen; Li, Jinshan
Two nitrogen-rich Ni(ii) coordination compounds based on 5,5′-azotetrazole: synthesis, characterization and effect on thermal decomposition for RDX, HMX and AP
RSC Advances, 2015, 5, 32872
7221940 CIF
HKL
Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475P n m a6.94901; 5.59224; 9.46525
90; 90; 90
367.82Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu
Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion
Journal of Materials Chemistry C, 2015, 3, 4616-4622
7220526 CIFCu2 Se4 Sn ZnI -4 2 m5.69647; 5.69647; 11.3394
90; 90; 90
367.961Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane
The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe).
Physical chemistry chemical physics : PCCP, 2015, 17, 15088-15092
7220130 CIFC6 H12 N10 O8 ZnP -16.1124; 6.6178; 9.6089
78.7; 82.88; 75.59
368Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen
Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate
RSC Adv., 2015
7037239 CIFC8 H20 Br2 Cu O6P -15.5714; 6.978; 10.303
103.643; 101.225; 101.936
368.14Shi, Jinbiao; Zhang, Yan; Zhang, Bin; Zhu, Daoben
Crystal-to-crystal transformation from a chain compound to a layered coordination polymer.
Dalton transactions (Cambridge, England : 2003), 2015, 45, 89-92
7219775 CIFC10 H14 Cu2 O14P -16.512; 6.901; 9.328
95.448; 108.706; 108.09
368.51Clegg, William; Holcroft, James M.; Martin, Nicola C.
Copper pyromellitates: a complex story
CrystEngComm, 2015, 17, 2857
7034871 CIFCu2.2 Se3.8 Sn Te0.2 Zn0.79I -4 2 m5.69703; 5.69703; 11.3608
90; 90; 90
368.73Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.
Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).
Dalton transactions (Cambridge, England : 2003), 2015, 44, 9014-9019
7036812 CIFC6 H6 Co N O3 PP -15.136; 8.5816; 8.6869
76.136; 87.027; 83.209
369Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min
Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 19256-19263
7037113 CIFC6 H6 Co N O3 PP -15.136; 8.5816; 8.6869
76.136; 87.027; 83.209
369Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min
Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 19256-19263
1529499 CIF
HKL
Er0.04 In7.96 O16 Sr4P n m a9.83173; 3.266226; 11.49502
90; 90; 90
369.136Ming Guan; Hong Zheng; Lefu Mei; Maxim S. Molokeev; Jing Xie; Tao Yang; Xiaowen Wu; Saifang Huang; Zhaohui Huang
Preparation, Structure and Up-conversion Luminescence of Yb3+/Er3+ co-doped SrIn2O4 Phosphors
Journal of the American Ceramic Society, 2015, 98, 1182-1187
7037024 CIFAs7 Nd4.4 Zn4P -3 m 14.197; 4.197; 24.204
90; 90; 120
369.2Lin, Xinsong; Tabassum, Danisa; Mar, Arthur
Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20254-20264
1561750 CIFB50 Fe1.324P 42/n n m :28.6807; 8.6807; 4.9043
90; 90; 90
369.56Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7035177 CIFGe Li2 Se4 ZnP 1 n 16.5515; 6.8589; 8.2427
90; 90.063; 90
370.394Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.
Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 11212-11222
4516362 CIFC4 H4 N2P 1 21/n 111.171; 9.245; 3.5885
90; 90.39; 90
370.6Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
7034870 CIFCu2.2 Se3.69 Sn Te0.31 Zn0.8I -4 2 m5.70846; 5.70846; 11.3823
90; 90; 90
370.91Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.
Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).
Dalton transactions (Cambridge, England : 2003), 2015, 44, 9014-9019
1562157 CIFCo K O9 P3P -6 c 26.6161; 6.6161; 9.788
90; 90; 120
371.05Ben Smida, Y.; Guesmi, A.; Georges, S.; Zid, M.F.
Synthesis, crystal structure and electrical proprieties of new phosphate KCoP3O9
Journal of Solid State Chemistry, 2015, 221, 278-284
1529500 CIF
HKL
Er0.04 In7.56 O16 Sr4 Yb0.4P n m a9.85272; 3.274175; 11.52212
90; 90; 90
371.698Ming Guan; Hong Zheng; Lefu Mei; Maxim S. Molokeev; Jing Xie; Tao Yang; Xiaowen Wu; Saifang Huang; Zhaohui Huang
Preparation, Structure and Up-conversion Luminescence of Yb3+/Er3+ co-doped SrIn2O4 Phosphors
Journal of the American Ceramic Society, 2015, 98, 1182-1187
1556787 CIFC17 H13 I N2 O2P -16.2888; 7.4027; 8.1348
84.773; 82.604; 83.781
372.2Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John
A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.
IUCrJ, 2015, 2, 498-510
7034872 CIFCu2.2 Se3.63 Sn Te0.37 Zn0.8I -4 2 m5.7151; 5.7151; 11.3974
90; 90; 90
372.27Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.
Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).
Dalton transactions (Cambridge, England : 2003), 2015, 44, 9014-9019
7117671 CIFC8 H8 F6 N4 Ni O2 SiP 4/m m m7.0148; 7.0148; 7.5655
90; 90; 90
372.28Osama Shekhah; Youssef Belmabkhout; Karim Adil; Prashant M. Bhatt; Amy J. Cairns; Mohamed Eddaoudi
A facile solvent-free synthesis route for the assembly of a highly CO2 selective and H2S tolerant NiSIFSIX metal-organic framework
Chem.Commun., 2015, 51, 13595
4341744 CIFCl Cs Fe3 K2 O14 P4P -15.3125; 7.613; 9.6697
79.41; 76.04; 89.66
372.76Gao, Jianhua; Li, Jian; Sulejmanovic, Dino; Hwu, Shiou-Jyh
M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M = Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).
Inorganic chemistry, 2015, 54, 1136-1144
4342600 CIFAl2 Bi2 Ga2 O9P b a m7.83649; 8.20994; 5.79503
90; 90; 90
372.835Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin
Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.
Inorganic chemistry, 2015, 54, 1876-1882
7235827 CIFC4 H10 N16 O8P -16.5597; 7.984; 8.5813
97.31; 107.895; 113.84
374.52Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
8107645 CIFC8 H12 O2P -15.8945; 6.0522; 10.7643
101.219; 90.581; 95.445
374.81Schalekamp, Henk; Hosten, Eric C.; Betz, Richard
Redetermination of the crystal structure of endo-2-carboxy-bicyclo[2.2.1]- heptane, C8H12O2
Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 33-34
1561808 CIFFe La O3R -3 c :H5.62872; 5.62872; 13.68283
90; 90; 120
375.427Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip
Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3
Journal of Solid State Chemistry, 2015, 230, 337-342
1561771 CIFB50 Fe1.01P 42/n n m :28.7347; 8.7347; 4.9257
90; 90; 90
375.806Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
1544912 CIFBi2 Cd O6P 3 2 19.3641; 9.3641; 4.9523
90; 90; 120
376.07Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C.
Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances
Journal of Asian Ceramic Societies, 2015, 3, 251-254
1519369 CIFC10 H10 F6 I N2 SbP -16.9674; 7.1797; 7.7358
91.775; 101.402; 96.682
376.18Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté
Counterion influence on the N‒I‒N halogen bond
Chem. Sci., 2015, 6, 3746
1561902 CIFCl H3 Ni2 O3P n a m6.17913; 9.06844; 6.71721
90; 90; 90
376.4Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
1561901 CIFCl H3 Mg0.23 Ni1.77 O3P n a m6.180622; 9.07382; 6.723513
90; 90; 90
377.067Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
1561749 CIFB50 Fe1.324P 42/n n m :28.7426; 8.7426; 4.9395
90; 90; 90
377.541Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7218068 CIFC3 H7 N O6 ZnP 63 2 27.309; 7.309; 8.1701
90; 90; 120
377.98Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.
Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework
CrystEngComm, 2015, 17, 370
4124306 CIFCu Rb TeP n m a6.4658; 4.376; 13.3745
90; 90; 90
378.42Vermeer, Michael J DeVries; Zhang, Xiuwen; Trimarchi, Giancarlo; Donakowski, Martin D.; Chupas, Peter J.; Poeppelmeier, Kenneth R.; Zunger, Alex
Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network.
Journal of the American Chemical Society, 2015, 137, 11383-11390
7035784 CIFC10 H10 Au Br4 N3P -14.6997; 8.4522; 9.9255
78.427; 78.859; 88.91
378.89Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti
Weak aurophilic interactions in a series of Au(iii) double salts.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 14523-14531
4513223 CIFCl H4 Na O2P 1 21/c 16.32184; 10.11135; 6.50351
90; 114.252; 90
379.031Bode, Arno A. C.; Pulles, Paul G. M.; Lutz, Martin; Poulisse, Ward J. M.; Jiang, Shanfeng; Meijer, Jan A. M.; van Enckevort, Willem J. P.; Vlieg, Elias
Sodium Chloride Dihydrate Crystals: Morphology, Nucleation, Growth, and Inhibition
Crystal Growth & Design, 2015, 15, 3166
4343621 CIFH O9 Sr2 V3P 1 21/m 17.6249; 6.0903; 8.8153
90; 112.15; 90
379.15Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.
Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.
Inorganic chemistry, 2015, 54, 7014-7020
7034619 CIFC5 H8 N4 O3P -16.6336; 7.6993; 8.5129
83.636; 73.035; 65.784
379.25Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.
Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7586-7594
1561900 CIFCl H3 Mg0.54 Ni1.46 O3P n a m6.190923; 9.09284; 6.73708
90; 90; 90
379.251Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
7116227 CIFAl H5 Mg O10 P2P 1 21 15.0119; 7.769; 9.995
90; 102.595; 90
379.81Mu, Ying; Wang, Yanyan; Li, Yi; Li, Jiyang; Yu, Jihong
Organotemplate-free synthesis of an open-framework magnesium aluminophosphate with proton conduction properties.
Chemical communications (Cambridge, England), 2015, 51, 2149-2151
7219510 CIFAs2 Ni O4P 42/m b c8.2277; 8.2277; 5.612
90; 90; 90
379.9Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor
Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties
RSC Adv., 2015
1555109 CIFC8 H10 O4P 1 21 15.3883; 12.812; 6.0438
90; 114.32; 90
380.21Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan
Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.
Organic letters, 2015, 17, 3604-3607
1561770 CIFB50 Fe1.01P 42/n n m :28.7745; 8.7745; 4.9438
90; 90; 90
380.63Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
1561899 CIFCl H3 Mg0.7 Ni1.3 O3P n a m6.19795; 9.10544; 6.74979
90; 90; 90
380.925Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
2020286 CIF
HKL
Paper
C7 H8 O5P -13.8229; 8.972; 11.645
75.011; 89.036; 81.735
381.7Sridhar, Balasubramanian
Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine
Acta Crystallographica Section C, 2015, 71
4342599 CIFAl Bi2 Ga3 O9P b a m7.89343; 8.26181; 5.855092
90; 90; 90
381.834Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin
Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.
Inorganic chemistry, 2015, 54, 1876-1882
7236063 CIFC3 H6.78 Br0.78 N8P -16.33; 6.711; 9.034
95.533; 90.022; 90.076
382Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic fused triazoles ‒ a promising C‒N fused heterocyclic cation
Journal of Materials Chemistry A, 2015, 3, 8606
2240394 CIF
Paper
C5 H9 N3 SP -15.8665; 8.0313; 9.0795
104.141; 101.04; 106.351
382.16Arfan, Atef; Rukiah, Mwaffak
Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data
Acta Crystallographica Section E, 2015, 71, 168-172
1561898 CIFCl H3 Mg0.86 Ni1.14 O3P n a m6.2043; 9.11702; 6.75943
90; 90; 90
382.345Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
2240468 CIF
HKL
Paper
Ge11.87 Ni18.06P -6 2 c6.6585; 6.6585; 9.962
90; 90; 120
382.5Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos
Structure cristalline du composé intermétallique Ni~18~Ge~12~
Acta Crystallographica Section E, 2015, 71, 318-320
4342501 CIFCr2.3 Se4C 1 2/m 16.2049; 3.598; 17.2352
90; 93.535; 90
384.05Clarke, Samantha M.; Freedman, Danna E.
(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.
Inorganic chemistry, 2015, 54, 2765-2771
4342215 CIFC2 H10 F4 Mo N2 O2P -15.8949; 7.7512; 8.5602
94.8475; 91.5028; 99.4202
384.16Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.
On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.
Inorganic chemistry, 2015, 54, 1712-1719
1561897 CIFCl H3 Mg1.2 Ni0.8 O3P n a m6.21836; 9.14547; 6.78414
90; 90; 90
385.81Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
4036211 CIFC14 H22 O8P 16.098; 7.378; 9.239
106.18; 100.896; 96.42
386Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.
Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.
The Journal of organic chemistry, 2015, 80, 5337-5343
4085827 CIFC9 H9 N O2P -17.3878; 8.0385; 8.3075
61.135; 80.954; 63.766
386.57Škoch, Karel; Císařová, Ivana; Štěpnička, Petr
Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides
Organometallics, 2015, 34, 1942
1561769 CIFB50 Fe1.01P 42/n n m :28.8236; 8.8236; 4.971
90; 90; 90
387.022Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
1561748 CIFB50 Fe1.324P 42/n n m :28.8178; 8.8178; 4.982
90; 90; 90
387.37Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
1561895 CIFCl H3 Mg1.38 Ni0.62 O3P n a m6.22523; 9.15312; 6.8045
90; 90; 90
387.72Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
4342602 CIFBi2 Ga4 O9P b a m7.929738; 8.305088; 5.898189
90; 90; 90
388.438Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin
Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.
Inorganic chemistry, 2015, 54, 1876-1882
4516309 CIFC19 H16 N2 O4P 13.811; 10.342; 10.844
65.84; 85.83; 89.45
388.8Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof
Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids
Crystal Growth & Design, 2015, 15, 3832
1561894 CIFCl H3 Mg1.58 Ni0.42 O3P n a m6.23212; 9.16774; 6.82108
90; 90; 90
389.72Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
4344074 CIFCa4 K2 O16 Si4 UP -16.6354; 6.6791; 9.6987
98.324; 93.624; 112.31
390.17Liu, Chia-Lin; Liu, Hsin-Kuan; Chang, Wen-Jung; Lii, Kwang-Hwa
K2Ca4[(UO2)(Si2O7)2]: A Uranyl Silicate with a One-Dimensional Chain Structure.
Inorganic chemistry, 2015, 54, 8165-8167
7035178 CIFLi2 Se4 Sn ZnP 1 n 16.6848; 7.0303; 8.3234
90; 90.05; 90
391.168Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.
Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 11212-11222
2241132 CIF
HKL
Paper
Cd H2 O5 SP 1 21/c 17.6195; 7.4517; 8.1457
90; 122.244; 90
391.17Theppitak, Chatphorn; Chainok, Kittipong
Crystal structure of CdSO~4~(H~2~O): a redetermination
Acta Crystallographica Section E, 2015, 71, i8-i9
4085828 CIFC8 H6 F3 N OP -15.008; 7.133; 11.538
99.455; 99.158; 101.021
391.3Škoch, Karel; Císařová, Ivana; Štěpnička, Petr
Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides
Organometallics, 2015, 34, 1942
7219509 CIFAs2 Co O4P 42/m b c8.3453; 8.3453; 5.6201
90; 90; 90
391.406Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor
Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties
RSC Adv., 2015
1540392 CIFBa0.1 O4 Si Sr1.9P m n b5.674; 7.086; 9.745
90; 90; 90
391.81Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing
Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties
CrystEngComm, 2015, 17, 9123
1561747 CIFB50 Fe1.324P 42/n n m :28.859; 8.859; 5.0042
90; 90; 90
392.74Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
1561893 CIFCl H3 Mg1.83 Ni0.17 O3P n a m6.24078; 9.18474; 6.85454
90; 90; 90
392.902Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
2240851 CIF
HKL
C10 H8 O3P -16.756; 7.988; 7.991
94.48; 108.27; 103.31
393.2Ishikawa, Yoshinobu
Crystal structure of 3-(hydroxymethyl)chromone
Acta Crystallographica Section E, 2015, 71, o495
1561768 CIFB50 Fe1.01P 42/n n m :28.8731; 8.8731; 4.997
90; 90; 90
393.42Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
1561892 CIFCl H3 Mg2 O3P n a m6.24984; 9.20083; 6.87485
90; 90; 90
395.329Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
1540393 CIFBa0.15 N O4 Si Sr2.85P m n b5.6796; 7.1386; 9.7639
90; 90; 90
395.87Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing
Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties
CrystEngComm, 2015, 17, 9123
4342408 CIFB2 Lu2 Na2 O10 TeP 1 21/c 16.2588; 9.7998; 6.6539
90; 103.714; 90
396.48Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Inorganic chemistry, 2015, 54, 2447
4516359 CIFC4 H4 N2P n a 2111.443; 9.437; 3.682
90; 90; 90
397.6Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
1562148 CIFAs3 Co2 Na O10P -16.8; 7.8168; 8.718
108.032; 108.48; 100.11
398.2Ben Smida, Y.; Marzouki, R.; Guesmi, A.; Georges, S.; Zid, M.F.
Synthesis, structural and electrical properties of a new cobalt arsenate NaCo2As3O10
Journal of Solid State Chemistry, 2015, 221, 132-139
4342407 CIFB2 Na2 O10 Te Yb2P 1 21/c 16.2631; 9.8269; 6.6741
90; 103.972; 90
398.62Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Inorganic chemistry, 2015, 54, 2447
4516358 CIFC4 H4 N2P n a 2111.463; 9.445; 3.6821
90; 90; 90
398.65Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
7035979 CIFC14 H10 Cd N6 S2P -16.0349; 8.2409; 8.7848
110.302; 100.984; 93.003
398.9Halder, Shibashis; Layek, Animesh; Ghosh, Koushik; Rizzoli, Corrado; Ray, Partha Pratim; Roy, Partha
A Cd(ii) based metal organic framework: a photosensitive current conductor.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 16149-16155
2241114 CIF
HKL
Paper
C5 H17 B N2P -16.0464; 7.6987; 9.5896
69.602; 76.519; 74.912
398.94Louven, Kathrin; Quentin, Georgina; Strohmann, Carsten
Crystal structure of borated <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiaminomethane
Acta Crystallographica Section E, 2015, 71, o743-o744
2240629 CIF
HKL
Paper
C10 H20 N2 O12P -15.6519; 7.5809; 10.31
75.467; 88.12; 69.487
399.76Diallo, Waly; Gueye, Ndongo; Crochet, Aurélien; Plasseraud, Laurent; Cattey, Hélène
Crystal structure of dimethylammonium hydrogen oxalate hemi(oxalic acid)
Acta Crystallographica Section E, 2015, 71, 473-475
7121265 CIFC9 H8 N2 O2P 1 n 13.8744; 12.8898; 8.1167
90; 98.965; 90
400.4Ventsi Dyulgerov; Rosica P. Nikolova; Louiza T. Dimova; K. Kossev; Boris L. Shivachev
Solvothermal synthesis of theophylline and N,N-(ethane-1,2-diyl)diformamide co-crystals from DMF decomposition and N-formylation trough catalytic effect of 3-carboxyphenylboronic acid and cadmium acetate
Bulgarian Chemical Communications, 2015, 47, 311
1561746 CIFB50 Fe1.324P 42/n n m :28.9175; 8.9175; 5.0364
90; 90; 90
400.5Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
1561767 CIFB50 Fe1.01P 42/n n m :28.9324; 8.9324; 5.0278
90; 90; 90
401.16Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4342406 CIFB2 Na2 O10 Te Tm2P 1 21/c 16.2801; 9.8594; 6.6918
90; 104.085; 90
401.89Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Inorganic chemistry, 2015, 54, 2447
1554038 CIFC4 H6 O2P 1 21/n 13.614; 16.42; 6.773
90; 90.36; 90
401.9Marshall, William G.; Urquhart, Andrew J.; Oswald, Iain D. H.
Investigation of Methacrylic Acid at High Pressure Using Neutron Diffraction.
The journal of physical chemistry. B, 2015, 119, 12147-12154
1562033 CIFBa3 F Fe3 O7P 1 21/m 110.1059; 5.7094; 6.977
90; 93.107; 90
401.972Clemens, Oliver
Structural characterization of a new vacancy ordered perovskite modification found for Ba3Fe3O7F (BaFeO2.333F0.333): Towards understanding of vacancy ordering for different perovskite-type ferrites
Journal of Solid State Chemistry, 2015, 225, 261-270
7221873 CIFC5 Cl5 NP 1 c 15.3122; 5.177; 14.8307
90; 99.493; 90
402.28George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli
Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction
CrystEngComm, 2015, 17, 7414
7223794 CIFC12 H8 Br4 Hg2 N2P -14.0824; 9.6723; 11.1027
71.406; 80.156; 78.525
404.48Slabbert, C.; Rademeyer, M.
Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands
CrystEngComm, 2015, 17, 9070
7221872 CIFC5 Cl5 NP 1 c 15.3191; 5.1827; 14.894
90; 99.704; 90
404.7George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli
Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction
CrystEngComm, 2015, 17, 7414
4342844 CIFC7 H6 Cu N5P 1 21 18.3796; 5.7173; 9.3378
90; 115.194; 90
404.8Tang, Yun-Zhi; Xiong, Jian-Bo; Gao, Ji-Xing; Tan, Yu-Hui; Xu, Qing; Wen, He-Rui
Spontaneous resolution, asymmetric catalysis, and fluorescence properties of δ- and λ-[cu(tzmp)]N enantiomers from in situ [2 + 3] cycloaddition synthesis.
Inorganic chemistry, 2015, 54, 5462-5466
4342845 CIFC7 H6 Cu N5P 1 21 18.3819; 5.7198; 9.3376
90; 115.15; 90
405.23Tang, Yun-Zhi; Xiong, Jian-Bo; Gao, Ji-Xing; Tan, Yu-Hui; Xu, Qing; Wen, He-Rui
Spontaneous resolution, asymmetric catalysis, and fluorescence properties of δ- and λ-[cu(tzmp)]N enantiomers from in situ [2 + 3] cycloaddition synthesis.
Inorganic chemistry, 2015, 54, 5462-5466
7116255 CIFC8 H12 N2 O2P 1 21/c 13.8328; 10.291; 10.396
90; 98.77; 90
405.26Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John
Stabilizing volatile liquid chemicals using co-crystallization.
Chemical communications (Cambridge, England), 2015, 51, 2425-2428
4342405 CIFB2 Er2 Na2 O10 TeP 1 21/c 16.2964; 9.9056; 6.7089
90; 104.11; 90
405.81Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Inorganic chemistry, 2015, 54, 2447
4512919 CIFC10 H14 B2 Cl4 Mn N2 O4P -13.7276; 7.8853; 14.104
84.92; 82.68; 81.8
405.93Yahsi, Yasemin; Gungor, Elif; Kara, Hulya
Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks
Crystal Growth & Design, 2015, 15, 2652
7033930 CIFC10 H10 FeP 1 21/n 15.9252; 7.6035; 9.0354
90; 93.165; 90
406.44Miyamoto, Yasuhiro; Takamizawa, Satoshi
Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5688-5691
7033932 CIFC10 H10 FeP 1 21/n 15.928; 7.607; 9.043
90; 93.154; 90
407.2Miyamoto, Yasuhiro; Takamizawa, Satoshi
Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5688-5691
7219071 CIFC7 H6 Cu N5P 1 21 18.394; 5.7287; 9.35
90; 115.074; 90
407.2Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong
((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties
CrystEngComm, 2015, 17, 1305
7033931 CIFC10 H10 FeP 1 21/n 15.934; 7.607; 9.038
90; 93.232; 90
407.3Miyamoto, Yasuhiro; Takamizawa, Satoshi
Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5688-5691
1561755 CIFB50 Fe1.04P 42/n n m :28.9731; 8.9731; 5.0587
90; 90; 90
407.31Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7221188 CIFC3 H8 N10 OP -16.07; 7.1682; 10.6018
76.852; 88.343; 65.406
407.32Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7221871 CIFC5 Cl5 NP 1 c 15.329; 5.1935; 14.949
90; 99.833; 90
407.65George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli
Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction
CrystEngComm, 2015, 17, 7414
4343622 CIFBa2 H Mn O9 V2P 1 21/m 17.8709; 6.1841; 9.0589
90; 112.33; 90
407.87Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.
Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.
Inorganic chemistry, 2015, 54, 7014-7020
4342402 CIFB2 Na2 O10 Te Y2P 1 21/c 16.3073; 9.9279; 6.7219
90; 104.26; 90
407.94Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Inorganic chemistry, 2015, 54, 2447
4343620 CIFBa2 H O9 V3P 1 21/m 17.8783; 6.1369; 9.1836
90; 113.07; 90
408.5Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.
Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.
Inorganic chemistry, 2015, 54, 7014-7020
4342404 CIFB2 Ho2 Na2 O10 TeP 1 21/c 16.306; 9.936; 6.7339
90; 104.23; 90
408.98Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Inorganic chemistry, 2015, 54, 2447
7033026 CIFC4 H16 La2 O12 P4P -15.3801; 8.141; 10.1367
73.807; 83.716; 73.693
408.98Mutelet, B.; Boudin, S.; Pérez, O; Rueff, J. M.; Labbé, C; Jaffrès, P A
La1-xLnxH(O3PCH3)2 (Ln = Tb, Eu; 0 < x ≤ 1): an organic-inorganic hybrid with lanthanide chains and tunable luminescence properties.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 1186-1192
4513102 CIFC10 H8 I4 N4P -16.589; 7.514; 9.181
66.435; 82.25; 79.808
409Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil
Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions
Crystal Growth & Design, 2015, 15, 2389
4343623 CIFBa2 Fe H O9 V2P 1 21/m 17.875; 6.1425; 9.2052
90; 113.19; 90
409.3Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.
Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.
Inorganic chemistry, 2015, 54, 7014-7020
7117532 CIFC7 H5 Cl N2 O2P -16.037; 8.101; 9.222
70.622; 74.48; 85.612
409.9Anup Rana; Pradeepta K. Panda
Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties
Chem.Commun., 2015, 51, 12239
4088027 CIFC10 H9 F FeP 1 21/n 16.0054; 7.5812; 9.0629
90; 96.034; 90
410.33Inkpen, Michael S.; Du, Shuoren; Hildebrand, Mariana; White, Andrew J. P.; Harrison, Nicholas M.; Albrecht, Tim; Long, Nicholas J.
The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes
Organometallics, 2015, 34, 5461
2241358 CIF
HKL
Paper
C12 H20 N2 Ni O12P -16.262; 7.1053; 10.7101
102.461; 96.754; 114.823
410.49Pérez-Aguirre, Rubén; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Gutiérrez-Zorrilla, Juan Manuel; Luque, Antonio
The crystal structure of a new polymorph of hexaaquanickel(II) bis(6-oxo-1,6-dihydropyridine-3-carboxylate)
Acta Crystallographica Section E, 2015, 71, m238-m239
7221877 CIFC4 H6 N4 O3 S2P -15.2819; 8.9293; 9.3525
104.658; 99.308; 99.803
410.69Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N.
SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide.
Physical chemistry chemical physics : PCCP, 2015, 17, 25411-25420
4516357 CIFC4 H4 N2P n a 2111.574; 9.4736; 3.7485
90; 90; 90
411.01Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
7221874 CIFC5 Cl5 NP 1 c 15.3426; 5.2051; 15.021
90; 100.003; 90
411.4George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli
Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction
CrystEngComm, 2015, 17, 7414
4342403 CIFB2 Er2 Na2 O10 TeP 1 21/c 16.3089; 9.9808; 6.7489
90; 104.394; 90
411.62Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Inorganic chemistry, 2015, 54, 2447
9017097 CIFAl Li O10 Si4P 1 2/c 111.1425; 5.0723; 11.6092
90; 141.074; 90
412.257Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.
Petalite under pressure: Elastic behavior and phase stability Note: P = 1.25 GPa
American Mineralogist, 2015, 100, 714-721
4516351 CIFC4 H4 N2P n a 2111.6379; 9.4709; 3.7529
90; 90; 90
413.65Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
2300486 CIF
HKL
Paper
Pt7 Sc4 Si2P b a m6.447; 16.121; 3.982
90; 90; 90
413.9Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
Journal of Applied Crystallography, 2015, 48
4512920 CIFC10 H14 B2 Cd Cl4 N2 O4P -13.803; 7.8592; 14.179
84.77; 82.38; 81.11
413.92Yahsi, Yasemin; Gungor, Elif; Kara, Hulya
Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks
Crystal Growth & Design, 2015, 15, 2652
4342497 CIFBi SeC 1 2/m 16.1654; 5.8669; 11.489
90; 95.002; 90
413.99Clarke, Samantha M.; Freedman, Danna E.
(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.
Inorganic chemistry, 2015, 54, 2765-2771
7219903 CIFB5 H3 O11 Sr2C 1 2 110.2342; 8.024; 6.3898
90; 127.882; 90
414.15Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng
Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O.
Physical chemistry chemical physics : PCCP, 2015, 17, 10489-10496
4516513 CIFC5 H10 N2 O6P 1 21 16.6411; 6.9162; 9.0495
90; 94.697; 90
414.26Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna
Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids
Crystal Growth & Design, 2015, 15, 5578
7055095 CIFF2 Mg3 O4 SiP n m a10.268; 8.694; 4.65
90; 90; 90
415.1Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua
Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2
New J. Chem., 2015, 39, 8866
7235811 CIFC6 H10 N20 O6P -16.6569; 8.3735; 8.5943
88.177; 68.659; 69.429
415.22Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
4516350 CIFC4 H4 N2P n a 2111.651; 9.475; 3.7623
90; 90; 90
415.3Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
7221875 CIFC5 Cl5 NP 1 c 15.359; 5.224; 15.101
90; 100.228; 90
416George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli
Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction
CrystEngComm, 2015, 17, 7414
2300485 CIF
HKL
Paper
Pt7 Sc4 Si2P b a m6.462; 16.147; 3.988
90; 90; 90
416.1Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
Journal of Applied Crystallography, 2015, 48
9017096 CIFAl Li O10 Si4P 1 2/c 111.1705; 5.0963; 11.6569
90; 141.134; 90
416.413Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.89 GPa
American Mineralogist, 2015, 100, 714-721
7033937 CIFC10 H10 Fe0.89 Ru0.11P 1 21/n 15.942; 7.696; 9.122
90; 92.908; 90
416.6Miyamoto, Yasuhiro; Takamizawa, Satoshi
Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5688-5691
4516349 CIFC4 H4 N2P n a 2111.659; 9.479; 3.7704
90; 90; 90
416.7Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4342135 CIFS3 Sc UC m c m3.75; 12.11; 9.18
90; 90; 90
416.89Prakash, Jai; Mesbah, Adel; Ward, Matthew D.; Lebègue, Sébastien; Malliakas, Christos D.; Lee, Minseong; Choi, Eun Sang; Ibers, James A.
Synthesis, Crystal Structure, Resistivity, Magnetic, and Theoretical Study of ScUS3.
Inorganic chemistry, 2015, 54, 1684-1689
4516348 CIFC4 H4 N2P n a 2111.664; 9.479; 3.7749
90; 90; 90
417.4Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516347 CIFC4 H4 N2P n a 2111.66; 9.48; 3.7771
90; 90; 90
417.5Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516352 CIFC4 H4 N2P n a 2111.665; 9.483; 3.774
90; 90; 90
417.5Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516353 CIFC4 H4 N2P n a 2111.665; 9.484; 3.7782
90; 90; 90
418Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516346 CIFC4 H4 N2P n a 2111.66; 9.479; 3.7837
90; 90; 90
418.2Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516354 CIFC4 H4 N2P n a 2111.673; 9.484; 3.7782
90; 90; 90
418.3Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
2241300 CIF
HKL
Paper
Fe H4 N2 O4 PP c c n6.3114; 7.668; 8.6485
90; 90; 90
418.55David, Renald
Crystal structure of hydrazine iron(III) phosphate, the first transition metal phosphate containing hydrazine
Acta Crystallographica Section E, 2015, 71, 1436-1438
9017095 CIFAl Li O10 Si4P 1 2/c 111.1895; 5.11; 11.6872
90; 141.19; 90
418.826Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.56 GPa
American Mineralogist, 2015, 100, 714-721
4516345 CIFC4 H4 N2P n a 2111.666; 9.487; 3.785
90; 90; 90
418.9Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516355 CIFC4 H4 N2P n a 2111.667; 9.491; 3.7874
90; 90; 90
419.4Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516344 CIFC4 H4 N2P n a 2111.682; 9.492; 3.7897
90; 90; 90
420.2Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4512821 CIFC18 H18 N2 O8P -15.5761; 6.9604; 11.7649
73.422; 81.543; 74.39
420.27Stevens, Joanna S.; Newton, Lauren K.; Jaye, Cherno; Muryn, Christopher A.; Fischer, Daniel A.; Schroeder, Sven L. M.
Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen Near-Edge X-ray Absorption Fine Structure and X-ray Photoelectron Spectroscopy of Bipyridine‒Acid Salts and Co-crystals
Crystal Growth & Design, 2015, 15, 1776
9017094 CIFAl Li O10 Si4P 1 2/c 111.2067; 5.1228; 11.716
90; 141.243; 90
421.069Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.32 GPa
American Mineralogist, 2015, 100, 714-721
4124310 CIFC11 H10 O2P -16.8381; 7.5909; 8.7535
79.408; 78.421; 72.627
421.07Metternich, Jan B.; Gilmour, Ryan
A Bio-Inspired, Catalytic E →Z Isomerization of Activated Olefins.
Journal of the American Chemical Society, 2015, 137, 11254-11257
4516343 CIFC4 H4 N2P n a 2111.687; 9.497; 3.7988
90; 90; 90
421.6Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
7221824 CIFC10 H8 N2 O2P 1 21/n 13.8346; 8.0536; 13.7021
90; 94.664; 90
421.75Aksenov, Nicolai A.; Aksenov, Alexander V.; Nadein, Oleg N.; Aksenov, Dmitrii A.; Smirnov, Alexander N.; Rubin, Michael
One-pot synthesis of benzoxazoles via the metal-free ortho-C-H functionalization of phenols with nitroalkanes
RSC Adv., 2015
4002145 CIFCa2 Ge Pt2C 1 2/c 19.6427; 5.6488; 7.9236
90; 102.13; 90
421.96Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.
Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability
Chemistry of Materials, 2015, 27, 304
4512925 CIFC10 H14 B2 Cl4 N2 O4 PdP -16.926; 7.9568; 8.297
70.25; 79.53; 83.22
422.38Yahsi, Yasemin; Gungor, Elif; Kara, Hulya
Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks
Crystal Growth & Design, 2015, 15, 2652
7033935 CIFC10 H10 NiP 1 21/n 15.8966; 7.859; 9.135
90; 91.841; 90
423.1Miyamoto, Yasuhiro; Takamizawa, Satoshi
Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5688-5691
2241202 CIF
HKL
Paper
C5 H11 Cl2 N3P 1 21 14.4358; 12.6281; 7.5588
90; 91.91; 90
423.18Louhibi, Samira; Belfilali, Imene; Boukli-Hacene, Leila; Roisnel, Thierry
Crystal structure of 2-(1<i>H</i>-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination
Acta Crystallographica Section E, 2015, 71, o844-o845
4124173 CIFC18 H14 Br2 O4P -17.3612; 7.8256; 8.1466
79.735; 66.523; 84.834
423.46Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.
Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.
Journal of the American Chemical Society, 2015, 137, 9527-9530
4516571 CIFC4 H4 N2P 1 21/c 111.239; 3.8173; 11.06
90; 116.79; 90
423.6Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
9017093 CIFAl Li O10 Si4P 1 2/c 111.22955; 5.1396; 11.7514
90; 141.312; 90
423.952Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.0001 GPa
American Mineralogist, 2015, 100, 714-721
2240294 CIF
HKL
Paper
C7 H9 N O5P 1 21 16.0101; 7.176; 9.8528
90; 93.19; 90
424.28Kanazawa, Hitoshi; Inada, Aya; Sakon, Aya; Uekusa, Hidehiro
Crystal structure of γ-methyl <small>L</small>-glutamate <i>N</i>-carboxy anhydride
Acta Crystallographica Section E, 2015, 71, 48-50
7235816 CIFC6 H10 N22 O4P -16.3892; 8.242; 8.4392
81.266; 75.251; 85.638
424.45Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
2240359 CIF
HKL
C10 H16 F6 N10 O2 SiP -15.75; 7.8504; 10.0884
79.141; 84.534; 71.774
424.47Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Chtoun, El Hossain
Crystal structure of bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate
Acta Crystallographica Section E, 2015, 71, o72-o73
4516342 CIFC4 H4 N2P n a 2111.7036; 9.502; 3.8171
90; 90; 90
424.49Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
4516570 CIFC4 H4 N2P 1 21/c 111.252; 3.8312; 11.074
90; 117.15; 90
424.8Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
4516501 CIFC6 H4 K2 O4P 1 21/n 110.765; 3.9739; 11.261
90; 117.978; 90
425.43Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J.
Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate
Crystal Growth & Design, 2015, 15, 5555
4516514 CIFC4 H10 N4 O6P 1 21/c 15.0451; 12.3754; 6.8563
90; 96.289; 90
425.498Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna
Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids
Crystal Growth & Design, 2015, 15, 5578
4516356 CIFC4 H4 N2P n a 2111.699; 9.5; 3.8295
90; 90; 90
425.61Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs
Crystal Growth & Design, 2015, 15, 4039
7033934 CIFC10 H10 NiP 1 21/n 15.913; 7.866; 9.157
90; 91.835; 90
425.7Miyamoto, Yasuhiro; Takamizawa, Satoshi
Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5688-5691
4002147 CIFAl Ca2 Pt2C 1 2/c 19.804; 5.7411; 7.7307
90; 101.889; 90
425.79Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.
Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability
Chemistry of Materials, 2015, 27, 304
7033933 CIFC10 H10 NiP 1 21/n 15.9142; 7.8676; 9.1622
90; 91.895; 90
426.09Miyamoto, Yasuhiro; Takamizawa, Satoshi
Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5688-5691
4516569 CIFC4 H4 N2P 1 21/c 111.263; 3.831; 11.086
90; 116.93; 90
426.5Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej
Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs
Crystal Growth & Design, 2015, 15, 5670
2241160 CIF
HKL
C20 H18 N2 O4P -14.5577; 6.9806; 13.7995
99.508; 94.297; 97.643
427.05Paul, Rima; Bora, Sanchay Jyoti
Redetermined structure of 4,4'-bipyridine‒1,4-phenylenediacetic acid (1:1) co-crystal
Acta Crystallographica Section E, 2015, 71, o799-o800
2240683 CIF
HKL
Paper
C4 H20 Cl6 Ir2 O6P -17.1445; 7.4876; 8.6362
73.597; 75.596; 89.404
428.37Merola, Joseph S.; Slebodnick, Carla; Houser, Christopher
Crystal structure of di-μ-chlorido-bis[dichloridobis(methanol-κ<i>O</i>)iridium(III)] dihydrate: a surprisingly simple chloridoiridium(III) dinuclear complex with methanol ligands
Acta Crystallographica Section E, 2015, 71, 528-530
7236064 CIFC2 H8 N8 O6P -13.9086; 7.562; 14.93
95.806; 91.521; 101.793
429.2Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang
Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials
Journal of Materials Chemistry A, 2015, 3, 14768
3500022 CIF
HKL
F9 Fe H2 O Pb3P -15.754; 5.939; 12.786
98.28; 94.04; 90.83
431.2Armel Le Bail
Crystal structure of Pb3FeF9.H2O
Personal communication to COD, 2015
2240935 CIF
HKL
Paper
C9 H8 N2 O SP -15.5253; 7.4528; 10.839
83.51; 85.79; 77.39
432.2Doroschuk, Roman
Crystal structure of <i>C</i>-2-benzothiazole-<i>N</i>-methylnitrone
Acta Crystallographica Section E, 2015, 71, o578-o579
4513315 CIFC12.3 H8.3 N1.7P 1 21/n 17.0829; 4.9885; 12.565
90; 103.028; 90
432.53Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4344110 CIFFe2 Ge7 U3C m m m4.1666; 24.982; 4.1557
90; 90; 90
432.57Henriques, Margarida S.; Gorbunov, Denis I.; Waerenborgh, João C; Pasturel, Mathieu; Andreev, Alexander V.; Dušek, Michal; Skourski, Yurii; Havela, Ladislav; Gonçalves, António P
Synthesis and Structural/Physical Properties of U3Fe2Ge7: A Single-Crystal Study.
Inorganic chemistry, 2015, 54, 9646-9655
4513309 CIFC6.13 H4.13 N0.87P 1 21/n 17.0733; 4.9761; 12.6164
90; 103.035; 90
432.62Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4513118 CIFC8 H8 N18 O8P -17.5387; 7.8716; 7.9743
75.469; 76.759; 73.514
432.84Bennion, Jonathan C.; McBain, Andrew; Son, Steven F.; Matzger, Adam J.
Design and Synthesis of a Series of Nitrogen-Rich Energetic Cocrystals of 5,5′-Dinitro-2H,2H′-3,3′-bi-1,2,4-triazole (DNBT)
Crystal Growth & Design, 2015, 15, 2545
2241086 CIF
HKL
C6 H11 N O3 SP -14.1782; 9.236; 11.82
98.19; 98.571; 102.36
433.3Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G.; Barany, George
Crystal structure of <i>O</i>-ethyl <i>N</i>-(ethoxycarbonyl)thiocarbamate
Acta Crystallographica Section E, 2015, 71, o782-o783
4513317 CIFC12.1 H8.1 N1.9P 1 21/n 17.0768; 4.9901; 12.6004
90; 103.047; 90
433.48Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4342492 CIFC3 H6 Cu I S3P -14.198; 9.9115; 10.8971
79.511; 79.461; 79.925
433.58Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai
Impact of Ligand Framework on the Crystal Structures and Luminescent Properties of Cu(I) and Ag(I) Clusters and a Coordination Polymer Derived from Thiolate/Iodide/dppm Ligands.
Inorganic chemistry, 2015, 54, 2572-2579
4513306 CIFC6.13 H4.13 N0.87P 1 21/n 17.0842; 4.982; 12.617
90; 103.036; 90
433.82Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4342579 CIFEr4 Ge4 In Ru2C 1 2/m 115.526; 4.2254; 6.916
90; 106.85; 90
434.2Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4513310 CIFC6.2 H4.2 N0.8P 1 21/n 17.1057; 4.9933; 12.597
90; 102.771; 90
435.9Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
1518571 CIFC8 H13 N O3P -17.0255; 8.3274; 8.5054
64.8193; 75.8585; 86.3999
436.19Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.
Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.
Organic letters, 2015, 17, 418-421
4513321 CIFC6.2 H4.2 N0.8P 1 21/n 17.1148; 4.9875; 12.6219
90; 102.96; 90
436.48Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4002146 CIFAl Ca2 Pd2C 1 2/c 110.017; 5.7669; 7.7421
90; 102.54; 90
436.57Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.
Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability
Chemistry of Materials, 2015, 27, 304
7236068 CIFC3 H6 N10 O2P 1 c 13.5714; 9.496; 12.886
90; 90.883; 90
437Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang
Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials
Journal of Materials Chemistry A, 2015, 3, 14768
4031018 CIFC9 H15 N O2P 1 21 15.5907; 13.518; 5.7882
90; 92.261; 90
437.1Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang
Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.
The Journal of organic chemistry, 2015, 80, 5824-5833
2240510 CIF
HKL
Paper
C11 H9 N RuP 1 21/m 17.2023; 8.6802; 7.2922
90; 106.497; 90
437.123Strehler, Frank; Korb, Marcus; Lang, Heinrich
Crystal structure of ruthenocenecarbonitrile
Acta Crystallographica Section E, 2015, 71, 398-401
7154565 CIFC14 H18 N2 S6P -14.4366; 7.095; 14.0927
91.198; 95.948; 97.185
437.49Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.
Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.
Organic & biomolecular chemistry, 2015, 13, 8479-8486
4342578 CIFGe4 Ho4 In Ru2C 1 2/m 115.55; 4.2349; 6.9425
90; 106.842; 90
437.6Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4123577 CIFC10 H14 O2P 1 21 17.2838; 7.068; 8.6698
90; 100.133; 90
439.38Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond
Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.
Journal of the American Chemical Society, 2015, 137, 6327-6334
4003419 CIFC4 H12 Au2 Cl4 Cu N4 O6P -15.09; 9.28; 9.3946
84.733; 84.283; 89.235
439.68Ovens, Jeffrey S.; Leznoff, Daniel B.
Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials
Chemistry of Materials, 2015, 27, 1465
4513635 CIFC22 H10 Br2 F4P -17.046; 8.334; 8.623
116.29; 90.15; 102.722
439.9Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun
Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)
Crystal Growth & Design, 2015, 15, 4938
4513311 CIFC6.24 H4.24 N0.75P 1 21/n 17.1465; 4.9932; 12.6435
90; 102.737; 90
440.07Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
1519496 CIFC22 H20 Br NP 16.134; 7.123; 10.777
102.328; 106.299; 90.659
440.2Zhang, Zhenhua; Du, Haifeng
Cis-selective and highly enantioselective hydrogenation of 2,3,4-trisubstituted quinolines.
Organic letters, 2015, 17, 2816-2819
1561714 CIFFe H4 O6 SP c c n6.316; 7.755; 8.988
90; 90; 90
440.237Zhao, Long; Liu, Wei; Cao, Lixin; Su, Ge; Gao, Rongjie; Yang, Hongzhan
A new member of ferrous sulfates, FeSO4·2H2O with PtS topology showing spin-canted long-range antiferromagnetic ordering
Journal of Solid State Chemistry, 2015, 231, 58-63
4344175 CIFC14 H16 Au S6P -16.08222; 7.4498; 10.5245
96.6635; 97.3421; 109.17
440.34Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc
A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.
Inorganic chemistry, 2015, 54, 9908-9913
7034182 CIFGe3 In0.25 Ni Yb1.75P 4/m10.312; 10.312; 4.1586
90; 90; 90
442.214Subbarao, Udumula; Jana, Rajkumar; Chondroudi, Maria; Balasubramanian, Mahalingam; Kanatzidis, Mercouri G.; Peter, Sebastian C.
Yb7Ni4InGe12: a quaternary compound having mixed valent Yb atoms grown from indium flux.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5797-5804
7235857 CIFC5 H9 N5 O4P -16.6857; 6.8993; 10.2681
76.7114; 79.0212; 75.8661
442.447Vo, Thao T.; Shreeve, Jean'ne M.
1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids
Journal of Materials Chemistry A, 2015, 3, 8756
4342577 CIFDy4 Ge4 In Ru2C 1 2/m 115.612; 4.2519; 6.9641
90; 106.728; 90
442.72Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
7037078 CIFC10 H22 Cl2 Cu N2 O8 S2P -16.944; 8.158; 9.443
98.389; 111.364; 110.445
443.3Walker, Tia L.; Mula, Sam; Malasi, Wilhelm; Engle, James T.; Ziegler, Christopher J.; van der Est, Art; Modarelli, Jody; Taschner, Michael J.
Blue copper protein analogue: synthesis and characterization of copper complexes of the N2S2 macrocycle 1,8-dithia-4,11-diazacyclotetradecane.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20200-20206
4342590 CIFCo2 Gd4 Ge4 InC 1 2/m 115.548; 4.2483; 7.058
90; 107.618; 90
444.3Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
1520006 CIFBi9 O7.5 S6R -3 m :H4.0685; 4.0685; 31.029
90; 90; 120
444.8Meng, Sha; Zhang, Xian; Zhang, Ganghua; Wang, Yaoming; Zhang, Hui; Huang, Fuqiang
Synthesis, Crystal Structure, and Photoelectric Properties of a New Layered Bismuth Oxysulfide.
Inorganic chemistry, 2015, 54, 5768-5773
1548230 CIFC12 H4 Br2 I2 O2 S4P -17.008; 7.571; 9.696
111.669; 108.287; 93.393
444.9Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
4512904 CIFCu Dy2 O12 S2P 1 21/c 16.304; 6.663; 10.724
90; 98.527; 90
445.5Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen
Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network
Crystal Growth & Design, 2015, 15, 2742
4342638 CIFBa Hg S2P m c 214.217; 14.409; 7.335
90; 90; 90
445.7Wu, Kui; Su, Xin; Pan, Shilie; Yang, Zhihua
Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7.
Inorganic chemistry, 2015, 54, 2772-2779
4342576 CIFGe4 In Ru2 Tb4C 1 2/m 115.6651; 4.2639; 6.9895
90; 106.672; 90
447.23Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
1555346 CIFC9 H15 N O2P 1 21 16.1254; 6.9441; 10.8047
90; 102.426; 90
448.82Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.
Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.
Organic letters, 2015, 17, 5204-5207
4342585 CIFFe2 Gd4 Ge4 InC 1 2/m 115.672; 4.2436; 7.0643
90; 107.068; 90
449.12Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
2240913 CIF
HKL
C11 H11 F O2P 1 21 19.3742; 4.76845; 11.0212
90; 114.202; 90
449.35Rousselin, Yoann; Laureano, Hugo; Clavel, Alexandre
Crystal structure of (<i>R</i>)-6-fluoro-2-[(<i>S</i>)-oxiran-2-yl]chroman
Acta Crystallographica Section E, 2015, 71, o552-o553
4512967 CIFCu H4 O12 S2 Tb2P 1 21/c 16.321; 6.693; 10.757
90; 98.533; 90
450.1Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen
Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network
Crystal Growth & Design, 2015, 15, 2742
4513593 CIFC4 H9 NP 1 21/c 18.6611; 5.208; 10.672
90; 110.561; 90
450.72Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.
Pyrrolidine and Its Hydrates in the Solid State
Crystal Growth & Design, 2015, 15, 4804
4342589 CIFCo2 Ge4 In Sm4C 1 2/m 115.6336; 4.2723; 7.1131
90; 107.642; 90
452.75Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
7234009 CIFC10 H8 F N3P -16.4282; 8.584; 8.968
108.015; 103.788; 92.762
453N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome
Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol
Journal of Materials Chemistry C, 2015, 3, 1056-1067
4340863 CIFF4 H2 Na O2 VP n a 219.9595; 9.4423; 4.8186
90; 90; 90
453.14Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.
Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability.
Inorganic chemistry, 2015, 54, 765-772
7036410 CIFCu Gd2 O12 S2P 1 21/c 16.341; 6.702; 10.779
90; 98.37; 90
453.2Tang, Yingying; Guo, Wenbin; Zhang, Suyun; Yang, Ming; Xiang, Hongping; He, Zhangzhen
Gd2Cu(SO4)2(OH)4: a 3d-4f hydroxysulfate with an enhanced cryogenic magnetocaloric effect.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 17026-17029
1519697 CIFC9 H10 Br F OP 1 21 18.013; 5.1662; 10.972
90; 93.376; 90
453.4Witten, Michael R.; Jacobsen, Eric N.
A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.
Organic letters, 2015, 17, 2772-2775
7219104 CIFC3 H7 N O2P 21 21 216.6605; 7.9; 8.617
90; 90; 90
453.41Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
1548232 CIFC12 H4 Br I3 O2 S4P -17.0535; 7.6622; 9.7173
111.757; 107.972; 94.14
453.5Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
4123184 CIFC10 H5 F5 FeP 1 21/m 16.632; 10.479; 7.011
90; 111.286; 90
454Sünkel, Karlheinz; Weigand, Stefan; Hoffmann, Alexander; Blomeyer, Sebastian; Reuter, Christian G.; Vishnevskiy, Yury V.; Mitzel, Norbert W.
Synthesis and characterization of 1,2,3,4,5-pentafluoroferrocene.
Journal of the American Chemical Society, 2015, 137, 126-129
4031127 CIFC22 H19 N O SeP 16.9162; 7.8388; 9.2345
103.149; 106.046; 99.634
454.13Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi
α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.
The Journal of organic chemistry, 2015, 80, 6903-6907
4031293 CIFC7 H9 Cl N4 O2P -16.0855; 7.9433; 10.3049
99.743; 106.984; 100.825
454.42Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar
Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.
The Journal of organic chemistry, 2015, 80, 7757-7763
2241117 CIF
HKL
Paper
C4 H12 Cl N O3 SP 1 21 15.4012; 8.2178; 10.2713
90; 94.534; 90
454.475Rajegowda, H. R.; Palakshamurthy, B. S.; Lokanath, N. K.; Naveen, S.; Raghavendra Kumar, P.
Crystal structure of (2<i>R</i>)-1-[(methylsulfonyl)oxy]propan-2-aminium chloride: a chiral molecular salt
Acta Crystallographica Section E, 2015, 71, o733-o734
7219103 CIFC3 H7 N O2P 21 21 216.6768; 7.9039; 8.6154
90; 90; 90
454.66Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
4513313 CIFC7 H5P 1 21/c 19.2627; 5.9923; 8.4088
90; 102.608; 90
455.47Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4513308 CIFC6.99 H4.99 N0.01P 1 21/c 19.2763; 5.9882; 8.403
90; 102.54; 90
455.64Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
7219102 CIFC3 H7 N O2P 21 21 216.6925; 7.9071; 8.6136
90; 90; 90
455.82Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7035142 CIFC10 H18 Cd Cl0 N6 O0 S4P -15.9229; 8.1307; 10.051
107.23; 97.19; 93.76
455.97Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing
New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 11470-11481
4342575 CIFGd4 Ge4 In Ru2C 1 2/m 115.773; 4.2875; 7.0393
90; 106.635; 90
456.1Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4341895 CIFAu4.44 Eu1.1 Ga2.18P -6 2 m8.5277; 8.5277; 7.2451
90; 90; 120
456.29Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
Inorganic chemistry, 2015, 54, 1010-1018
4513320 CIFC7 H5P 1 21/c 19.2689; 5.9954; 8.4104
90; 102.478; 90
456.33Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
7221183 CIFC9 H7 N3 O3P -16.0311; 8.0981; 9.9218
90.914; 93.41; 109.261
456.33Zhu, Fengjuan; Zou, Minming; Shao, Xusheng; Li, Z.
On-water, Catalyst-Free and Room-temperature Construction of 2-Aryl-1,3,4-oxadiazole Derivatives from 1,1-Dichloro-2-nitroethene and Hydrazides
RSC Adv., 2015
4513108 CIFC16 H8 F4 I2 N4P -16.414; 8.358; 9.202
82.982; 70.979; 78.678
456.4Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil
Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions
Crystal Growth & Design, 2015, 15, 2389
7219101 CIFC3 H7 N O2P 21 21 216.7099; 7.909; 8.6098
90; 90; 90
456.91Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
4341897 CIFAu4.77 Eu Ga2.23P -6 2 m8.5781; 8.5781; 7.1703
90; 90; 120
456.93Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
Inorganic chemistry, 2015, 54, 1010-1018
7220197 CIFC16 H16 Cu N2 O10P -15.2245; 7.5079; 11.9914
93.397; 94.312; 102.049
457.34Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria
Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf‒thymus DNA and albumins.
RSC Adv., 2015
4513322 CIFC6.97 H4.97 N0.03P 1 21/c 19.2837; 5.9932; 8.4219
90; 102.529; 90
457.43Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4513319 CIFC13.98 H9.98 N0.02P 1 21/c 19.2981; 5.9945; 8.408
90; 102.5; 90
457.5Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4513302 CIFC14 H10P 1 21/c 19.2838; 5.9992; 8.421
90; 102.487; 90
457.92Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
Crystal Growth & Design, 2015, 15, 4098
4344809 CIFC6 H18 Cl2 N18 Ni O4P 39.3258; 9.3258; 6.0815
90; 90; 120
458.05Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan
Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.
Inorganic chemistry, 2015, 55, 322
7219100 CIFC3 H7 N O2P 21 21 216.7285; 7.9107; 8.6056
90; 90; 90
458.05Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
4341896 CIFAu4.44 Eu1.12 Ga2.22P -6 2 m8.543; 8.543; 7.2493
90; 90; 120
458.19Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
Inorganic chemistry, 2015, 54, 1010-1018
1529320 CIF
HKL
Fe2 Ge4 Li Na O12P 1 21/c 19.9692; 8.85448; 5.47516
90; 108.494; 90
458.34T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; S.V. Misyul; V.S. Bondarev; D.A. Velikanov; M. Frontzek; J. Schefer
Crystal and magnetic structures, phase transitions in quasi-one-dimensional pyroxenes Na0.5Li0.5FeGe2O6
Journal of Magnetism and Magnetic Materials, 2015, 385, 243-249
4342640 CIFC16 H14 Co N4 O2 S2P -15.62803; 8.4717; 10.317
76.7846; 87.54; 73.483
458.99Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Runčevski, Tomče; Dinnebier, Robert E.; Suckert, Stefan; Näther, Christian
Thermodynamically metastable thiocyanato coordination polymer that shows slow relaxations of the magnetization.
Inorganic chemistry, 2015, 54, 2893-2901
4342584 CIFFe2 Ge4 In Sm4C 1 2/m 115.77; 4.2745; 7.1211
90; 107.011; 90
459Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
7219346 CIFC4 H4 O4P b c a5.2399; 7.4388; 11.7763
90; 90; 90
459.02Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.
Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments
CrystEngComm, 2015, 17, 1778
7219099 CIFC3 H7 N O2P 21 21 216.7518; 7.9135; 8.6022
90; 90; 90
459.62Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7220145 CIFC20 H20 N P SeP 16.0127; 9.368; 9.581
106.91; 107.98; 103.26
459.9Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.
Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation
RSC Adv., 2015
4512968 CIFCu Eu2 H4 O12 S2P 1 21/c 16.369; 6.76; 10.82
90; 98.6; 90
460.6Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen
Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network
Crystal Growth & Design, 2015, 15, 2742
4341898 CIFAu4.8 Eu Ga2.2P -6 2 m8.592; 8.592; 7.208
90; 90; 120
460.8Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
Inorganic chemistry, 2015, 54, 1010-1018
7036381 CIFF12 H3 O2 Pd2P -15.585; 9.744; 9.784
112.28; 100.09; 102.6
460.8Marx, Rupert; Seppelt, Konrad
Structure investigations on oxygen fluorides.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 19659-19662
7219098 CIFC3 H7 N O2P 21 21 216.7737; 7.917; 8.5989
90; 90; 90
461.14Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
1561765 CIFB7 Fe2P b a m16.1256; 10.3762; 2.7585
90; 90; 90
461.56Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7222280 CIFC12 H30 O6 P2 SnP -15.2504; 8.6355; 10.3202
86.763; 85.077; 82.392
461.6Shankar, Ravi; Asija, Meenal; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Shestakova, Pavletta
Growth modulation of bent micro crystals to single crystals in a one-dimensional coordination framework
RSC Adv., 2015, 5, 80501
7220144 CIFC20 H20 N P SeP 16.0159; 9.3867; 9.5866
106.872; 107.869; 103.345
461.65Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.
Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation
RSC Adv., 2015
1548233 CIFC12 H4 I4 O2 S4P -17.0996; 7.7287; 9.7508
111.648; 107.843; 94.7
461.74Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
7219097 CIFC3 H7 N O2P 21 21 216.797; 7.9162; 8.5951
90; 90; 90
462.47Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7117264 CIFC9 H9 Cl3P -17.5031; 8.7681; 8.7862
119.731; 106.219; 95.51
462.5Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
1529319 CIF
HKL
Fe2 Ge4 Li Na O12C 1 2/c 110.03328; 8.81362; 5.529646
90; 108.921; 90
462.561T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; S.V. Misyul; V.S. Bondarev; D.A. Velikanov; M. Frontzek; J. Schefer
Crystal and magnetic structures, phase transitions in quasi-one-dimensional pyroxenes Na0.5Li0.5FeGe2O6
Journal of Magnetism and Magnetic Materials, 2015, 385, 243-249
4513594 CIFC4 H9 NP 1 21/c 18.74; 5.2169; 10.816
90; 110.284; 90
462.6Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.
Pyrrolidine and Its Hydrates in the Solid State
Crystal Growth & Design, 2015, 15, 4804
1518833 CIFC22 H24 N2 O6P -15.12219; 5.25881; 17.6394
95.2896; 92.3561; 101.217
463.236Kanosue, Kenta; Shimosaka, Takamichi; Wakita, Junji; Ando, Shinji
Polyimide and Imide Compound Exhibiting Bright Red Fluorescence with Very Large Stokes Shifts via Excited-State Intramolecular Proton Transfer
Macromolecules, 2015, 48, 1777
7219096 CIFC3 H7 N O2P 21 21 216.8141; 7.9189; 8.5887
90; 90; 90
463.45Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7036380 CIFF2 O2P 1 21/c 17.626; 8.518; 7.457
90; 106.8; 90
463.7Marx, Rupert; Seppelt, Konrad
Structure investigations on oxygen fluorides.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 19659-19662
1519422 CIFC8 H8 F N O4 SP -17.2161; 7.3574; 9.1736
86.045; 76.993; 78.266
464.49Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.
Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?
Chem. Sci., 2015, 6, 3565
4342570 CIFGe4 In Rh2 Sm4C 1 2/m 115.857; 4.3147; 7.0971
90; 106.878; 90
464.65Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
1518683 CIFH12 N2 Ni O12P -15.7531; 7.6604; 11.4876
106.347; 98.45; 101.538
464.73Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.
Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation
Journal of Crystal Growth, 2015, 412, 1
7033808 CIFC10 H24 Cd Cl2 N4 S2P -15.9343; 8.7361; 10.178
107; 105.4; 101.23
464.8Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing
New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5095-5105
4342588 CIFCo2 Ge4 In Nd4C 1 2/m 115.7845; 4.3028; 7.1824
90; 107.511; 90
465.2Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4512969 CIFCu H4 O12 S2 Sm2P 1 21/c 16.393; 6.792; 10.845
90; 98.616; 90
465.6Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen
Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network
Crystal Growth & Design, 2015, 15, 2742
8107642 CIFC3 H3 Br N2P 1 21/c 13.9398; 12.5823; 9.8199
90; 106.934; 90
465.68Hosten, Eric C.; Betz, Richard
Crystal structure of 4-bromo-1H-imidazole, at 200 K, C3H3BrN2
Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 27-28
7054789 CIFC3 H6 N8 O6P -16.4007; 7.6439; 10.1075
70.985; 87.798; 85.279
465.92Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia
3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties
New J. Chem., 2015, 39, 5265
1561764 CIFB7 Fe2P b a m16.1899; 10.3983; 2.7692
90; 90; 90
466.19Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4342574 CIFGe4 In Ru2 Sm4C 1 2/m 115.877; 4.3178; 7.0936
90; 106.517; 90
466.23Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
7118026 CIFC21 H14 Cl2 O S2P 16.8482; 7.9264; 8.7986
92.069; 99.774; 96.704
466.69Kui Liao; Feng Zhou; Jin-Sheng Yu; Wei-Ming Gao; Jian Zhou
Catalytic asymmetric sulfenylation to structurally diverse dithioketals
Chem.Commun., 2015, 51, 16255
7117265 CIFC9 H9 Cl3P -17.6629; 8.7822; 8.7994
119.644; 107.474; 96.23
466.72Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
2019875 CIF
HKL
C10 H18 Mg N12 O6P -17.868; 8.268; 8.608
63.59; 68.56; 80.47
466.8Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane
Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms
Acta Crystallographica Section C, 2015, 71
7117266 CIFC9 H9 Cl3P -17.6799; 8.7893; 8.8083
119.651; 107.294; 96.335
469.01Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
2240692 CIF
HKL
Paper
C12 H9 N3 OP -13.7598; 10.2467; 12.8768
104.628; 96.616; 98.009
469.43Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike
Crystal structure of 5,11-dihydropyrido[2,3-<i>b</i>][1,4]benzodiazepin-6-one
Acta Crystallographica Section E, 2015, 71, o304-o305
9017704 CIFAl1.14 Ca0.59 Ce0.2 Fe0.89 Gd0.02 H La0.48 Mg0.07 Mn0.96 Nd0.18 O13 Pr0.07 Si3 Ti0.06 V0.34P 1 21/m 18.8733; 5.7415; 10.0805
90; 113.845; 90
469.725Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.
Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals from Ise, Mie Prefecture, Japan
Mineralogical Magazine, 2015, 79, 735-753
9017703 CIFAl1.17 Ca0.47 Ce0.2 Fe0.88 Gd0.02 H La0.49 Mg0.1 Mn1.06 Nd0.19 O13 Pr0.08 Si3 Ti0.07 V0.28P 1 21/m 18.8779; 5.73995; 10.0875
90; 113.899; 90
469.972Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.
Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals from Ise, Mie Prefecture, Japan
Mineralogical Magazine, 2015, 79, 735-753
7218742 CIFC14 H4 S12P -16.2212; 6.4416; 12.32
96.924; 103.818; 97.07
469.99Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia
Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties
CrystEngComm, 2015, 17, 787
2240568 CIF
HKL
Paper
N3 Na O9 Rb2P m c 215.327; 9.079; 9.718
90; 90; 90
470Ksiksi, Nesrine; Driss, Mohamed; Hellali, Dalila; Guesmi, Abderrahmen; Zamali, Hmida
Le nitrate double NaRb~2~(NO~3~)~3~, composé intermédiaire du système binaire isobare NaNO~3~ + RbNO~3~: études thermiques et cristallographiques
Acta Crystallographica Section E, 2015, 71, 455-458
7055022 CIFC2 H Ag N4 O2P 1 21/c 13.6019; 11.273; 11.6
90; 93.389; 90
470.19Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping
Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance
New J. Chem., 2015, 39, 7849
1562066 CIFC14 H4 O18 Pr2P -18.2509; 8.3435; 8.7321
97.78; 110.783; 116.452
471.25Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.
Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate
Journal of Solid State Chemistry, 2015, 225, 402-409
7117643 CIFC4 H5 O4P 1 21/c 19.776; 6.0458; 8.133
90; 100.964; 90
471.9Nipuni-Dhanesh; H. Gamage; Benedikt Stiasny; Jorg Stierstorfer; Philip D. Martin; Thomas M. Klapotke; Charles H. Winter
Less sensitive oxygen-rich organic peroxides containing geminal hydroperoxy groups
Chem.Commun., 2015, 51, 13298
4344806 CIFC6 H18 Cl2 Co N18 O4P 39.4129; 9.4129; 6.1506
90; 90; 120
471.95Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan
Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.
Inorganic chemistry, 2015, 55, 322
4342117 CIFC12 H8 F N3P -16.7286; 7.0923; 11.2194
78.888; 82.261; 64.157
472.05Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.
Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.
Inorganic chemistry, 2015, 54, 682-693
1562156 CIFCs Mg O4 PP 1 21/n 19.58199; 8.95501; 5.50344
90; 90.6858; 90
472.199Orlova, Maria; Khainakov, Sergey; Michailov, Dmitriy; Perfler, Lukas; Langes, Christoph; Kahlenberg, Volker; Orlova, Albina
Low temperature phase transition and crystal structure of CsMgPO4
Journal of Solid State Chemistry, 2015, 221, 224-229
1561763 CIFB7 Fe2P b a m16.2755; 10.4254; 2.7831
90; 90; 90
472.23Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7117267 CIFC9 H9 Cl3P -17.7076; 8.801; 8.8248
119.644; 107.231; 96.278
472.73Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
4342583 CIFFe2 Ge4 In Nd4C 1 2/m 115.9354; 4.3102; 7.2004
90; 107.065; 90
472.78Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4342587 CIFCo2 Ge4 In Pr4C 1 2/m 115.8705; 4.3247; 7.2264
90; 107.511; 90
473Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
2240991 CIF
HKL
C10 H11 N3 OP -17.023; 7.6198; 9.7868
69.709; 89.242; 75.191
473.27El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Baashen, Mohammed; Kariuki, Benson M.
Crystal structure of 3-amino-2-ethylquinazolin-4(3<i>H</i>)-one
Acta Crystallographica Section E, 2015, 71, o650-o651
1518332 CIFC10 H16 Ag2 I4 N4P -17.061; 7.702; 9.321
87.062; 85.931; 69.444
473.3Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin
Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules
Inorganica Chimica Acta, 2015, 425, 52-60
4512498 CIFC10 H8 O5P -13.6787; 9.529; 13.7468
91.611; 92.252; 100.278
473.48Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.
Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate
Crystal Growth & Design, 2015, 15, 465
2019834 CIF
HKL
Paper
C9 H10 Ag N O3P 1 21 17.2944; 7.1464; 9.2736
90; 101.546; 90
473.64Yousaf, Aqsa; Tahir, Muhammad Nawaz; Rauf, Abdul; Awan, Shafique Ahmad; Ahmad, Saeed
Crystal structure ofcatena-poly[silver(I)-μ-L-tyrosinato-κ2O:N]
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, m50
7234271 CIFC24 H28 N2P -17.388; 7.625; 9.047
101.595; 103.106; 99.662
473.9Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi
The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens
Journal of Materials Chemistry C, 2015, 3, 5940-5950
4123416 CIFAu Bi Pb2 S3 Te2P m m n :212.3722; 4.0997; 9.3435
90; 90; 90
473.92Fang, Lei; Im, Jino; Stoumpos, Constantinos C.; Shi, Fengyuan; Dravid, Vinayak; Leroux, Maxime; Freeman, Arthur J.; Kwok, Wai-Kwong; Chung, Duck Young; Kanatzidis, Mercouri
Two-Dimensional Mineral [Pb2BiS3][AuTe2]: High-Mobility Charge Carriers in Single-Atom-Thick Layers.
Journal of the American Chemical Society, 2015, 137, 2311-2317
4344078 CIFBa Co Fe0.667 O8 P2P -18.3313; 8.3316; 8.3598
70.606; 99.558; 120.013
473.96Blazquez Alcover, Ignacio; Daviero-Minaud, Sylvie; David, Rénald; Filimonov, Dmitry; Huvé, Marielle; Attfield, J. Paul; Kabbour, Houria; Mentré, Olivier
Selective Metal Exsolution in BaFe2-yMy(PO4)2 (M = Co(2+), Ni(2+)) Solid Solutions.
Inorganic chemistry, 2015, 54, 8733-8743
7219520 CIFC11 H6 Ag N O4P -16.6702; 8.7729; 9.1647
78.49; 72.67; 68.92
475.1Song, Yang; Fan, Rui-Qing; Zhang, Hui-Jie; Liu, Zhi-Wei; Wang, Xue-Tao; Tan, Cai-Tu; Yang, Yu-Lin; Wang, Yu-Lei
Luminescent properties of Ag(i)/Cu(i) coordination polymers: crystal structures and high intensity luminescence of a PMMA-doped hybrid material based on a quinoline-2,3-dicarboxylic acid ligand
RSC Adv., 2015, 5, 17343
4344810 CIFC6 H18 Cl2 N18 O4 ZnP 39.454; 9.454; 6.1473
90; 90; 120
475.82Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan
Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.
Inorganic chemistry, 2015, 55, 322
7221186 CIFC H6 N6 OP 1 21/c 110.6535; 6.5711; 6.9431
90; 101.531; 90
476.24Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
7117268 CIFC9 H9 Cl3P -17.7324; 8.8179; 8.8415
119.64; 107.114; 96.298
476.54Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
4512651 CIFC5 H9 Lu N2 O8C 1 2 111.081; 7.0226; 6.485
90; 109.129; 90
476.8Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
7036070 CIFK3 La O9 Te2P 63/m m c6.0589; 6.0589; 15.024
90; 90; 120
477.64Zhang, Xinyuan; Yao, Jiyong; Jiang, Xingxing; Fu, Ying; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng
K3LaTe2O9: a new alkali-rare earth tellurate with face-sharing TeO6 octahedra.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 15576-15582
1561762 CIFB7 Fe2P b a m16.363; 10.4485; 2.7948
90; 90; 90
477.82Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4342573 CIFGe4 In Nd4 Ru2C 1 2/m 116.014; 4.3463; 7.16
90; 106.353; 90
478.2Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4342586 CIFCe4 Co2 Ge4 InC 1 2/m 115.9351; 4.3361; 7.2602
90; 107.531; 90
478.35Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4341858 CIFB6 Ba Eu6 H2 O26 Si3P 6 m m10.8074; 10.8074; 4.7296
90; 90; 120
478.41Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.
Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.
Inorganic chemistry, 2015, 54, 905-913
7234010 CIFC10 H8 Cl N3P -17.0606; 7.0918; 10.4983
76.075; 71.33; 77.999
478.45N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome
Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol
Journal of Materials Chemistry C, 2015, 3, 1056-1067
1520108 CIFAg0.5 In2.5 Te4I -4 2 m6.20368; 6.20368; 12.43258
90; 90; 90
478.476Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver
Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.
Inorganic chemistry, 2015, 54, 5745-5756
4124200 CIFC10 H8 F3 Fe N2I 2 2 23.89; 10.7997; 11.3951
90; 90; 90
478.72Lu, Hongcheng; Yamamoto, Takafumi; Yoshimune, Wataru; Hayashi, Naoaki; Kobayashi, Yoji; Ajiro, Yoshitami; Kageyama, Hiroshi
A Nearly Ideal One-Dimensional S = 5/2 Antiferromagnet FeF3(4,4'-bpy) (4,4'-bpy =4,4'-bipyridyl) with Strong Intrachain Interactions.
Journal of the American Chemical Society, 2015, 137, 9804-9807
4342582 CIFFe2 Ge4 In Pr4C 1 2/m 116.0089; 4.3242; 7.2282
90; 106.877; 90
478.83Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4341901 CIFAu4.39 Ba Ga2.61P -6 2 m8.7758; 8.7758; 7.1905
90; 90; 120
479.58Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
Inorganic chemistry, 2015, 54, 1010-1018
4341902 CIFAu4.29 Ba Ga2.71P -6 2 m8.7758; 8.7758; 7.1905
90; 90; 120
479.58Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
Inorganic chemistry, 2015, 54, 1010-1018
1518684 CIFH12 N2 Ni O12P -15.8056; 7.7023; 11.6864
105.841; 98.451; 102.203
479.59Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.
Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation
Journal of Crystal Growth, 2015, 412, 1
1520110 CIFAg0.25 Cd0.5 In2.25 Te4I -4 2 m6.21342; 6.21342; 12.45643
90; 90; 90
480.9Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver
Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.
Inorganic chemistry, 2015, 54, 5745-5756
4513008 CIFC6 H16 Br6 N4 O4 ReP -18.2613; 8.3131; 8.3431
108.544; 111.239; 99.162
481.3Martínez-Lillo, José; Pedersen, Anders H.; Faus, Juan; Julve, Miguel; Brechin, Euan K.
Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts
Crystal Growth & Design, 2015, 15, 2598
1540573 CIFC12 H12 N2P -16.575; 7.956; 9.875
90.42; 107.21; 101.99
481.4Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A.
Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT.
The journal of physical chemistry. A, 2015, 119, 11820-11836
7235832 CIFC8 H7 Gd N O7P -14.5054; 10.3354; 10.8017
77.933; 79.23; 83.148
481.52Zhang, Shaowei; Duan, Eryue; Cheng, Peng
An exceptionally stable 3D GdIII-organic framework for use as a magnetocaloric refrigerant
Journal of Materials Chemistry A, 2015, 3, 7157
2240618 CIF
HKL
Paper
Cl3 H12 O6 YbP 1 2/c 17.8158; 6.4651; 12.725
90; 131.45; 90
481.95Knopf, Kevin M.; Crundwell, Guy; Westcott, Barry L.
Crystal structure of hexaaquadichloridoytterbium(III) chloride
Acta Crystallographica Section E, 2015, 71, i5
2019827 CIF
HKL
Paper
H6 Mn O6 SnP 42/n :27.8655; 7.8655; 7.7938
90; 90; 90
482.17Lafuente, Barbara; Yang, Hexiong; Downs, Robert T.
Crystal structure of tetrawickmanite, Mn2+Sn4+(OH)6
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, 234-237
4343035 CIFCu H K Mo O5P n m a7.98385; 6.3156; 9.5641
90; 90; 90
482.25Nawa, Kazuhiro; Yajima, Takeshi; Okamoto, Yoshihiko; Hiroi, Zenji
Orbital Arrangements and Magnetic Interactions in the Quasi-One-Dimensional Cuprates ACuMoO4(OH) (A = Na, K).
Inorganic chemistry, 2015, 54, 5566-5570
4346679 CIFC16 H16 Hg N2 O8 S2P -17.825; 8.21; 8.235
78.93; 68.33; 84.56
482.34Manceau, Alain; Lemouchi, Cyprien; Rovezzi, Mauro; Lanson, Martine; Glatzel, Pieter; Nagy, Kathryn L.; Gautier-Luneau, Isabelle; Joly, Yves; Enescu, Mironel
Structure, Bonding, and Stability of Mercury Complexes with Thiolate and Thioether Ligands from High-Resolution XANES Spectroscopy and First-Principles Calculations.
Inorganic chemistry, 2015, 54, 11776-11791
4341903 CIFAu4.51 Ba1.04 Ga2.37P -6 2 m8.7892; 8.7892; 7.2124
90; 90; 120
482.51Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
Inorganic chemistry, 2015, 54, 1010-1018
4344807 CIFC6 H18 Cl2 Mn N18 O4P 39.5156; 9.5156; 6.1577
90; 90; 120
482.86Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan
Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.
Inorganic chemistry, 2015, 55, 322
7219125 CIFC16 H26 B2 N2 O8P 16.894; 7.6323; 9.9174
79.286; 71.221; 81.683
483.41Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes
On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids
CrystEngComm, 2015, 17, 5166
1520107 CIFAg0.2 Cd0.75 In2.1 Te4I -4 2 m6.22687; 6.22687; 12.47448
90; 90; 90
483.684Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver
Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.
Inorganic chemistry, 2015, 54, 5745-5756
7154021 CIFC11 H12 F N OP -16.0469; 9.1864; 9.4011
110.41; 96.98; 92.353
483.85Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo
Short and efficient synthesis of fluorinated δ-lactams.
Organic & biomolecular chemistry, 2015, 13, 717-728
4002212 CIFC3 H3 N3 O3C 1 2/c 17.916; 6.7366; 9.078
90; 90.737; 90
484.06Söllradl, Stefan; Greiwe, Magnus; Bukas, Vanessa J.; Buchner, Magnus R.; Widenmeyer, Marc; Kandemir, Timur; Zweifel, Tobias; Senyshyn, Anatoliy; Günther, Sebastian; Nilges, Tom; Türler, Andreas; Niewa, Rainer
Nitrogen-Doping in ZnO via Combustion Synthesis?
Chemistry of Materials, 2015, 27, 4188
1561761 CIFB7 Fe2P b a m16.4469; 10.4785; 2.8089
90; 90; 90
484.08Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4342572 CIFGe4 In Pr4 Ru2C 1 2/m 116.083; 4.3605; 7.19
90; 106.254; 90
484.1Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
4512650 CIFC5 H9 N2 O8 YbC 1 2 111.127; 7.087; 6.5183
90; 109.334; 90
485.03Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
4516390 CIFC8 H4 O8 Pb2P -17.952; 8.1662; 8.7137
72.38; 66.27; 73.574
485.23Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios
Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands
Crystal Growth & Design, 2015, 15, 5310
1520063 CIFC4 H2 N10 O6P 1 21/c 15.6265; 9.1195; 9.5532
90; 97.913; 90
485.52Zhang, Jiaheng; Shreeve, Jean’ne M.
Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties
The Journal of Physical Chemistry C, 2015, 119, 12887
7033238 CIFC H Cu N7P 21 21 216.7311; 7.4805; 9.6521
90; 90; 90
486Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun
Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 2223-2233
4342581 CIFCe4 Fe2 Ge4 InC 1 2/m 116.071; 4.348; 7.2757
90; 106.945; 90
486.3Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
1561885 CIFCa3 K2 O10 Si3P -15.6699; 7.3754; 11.831
86.199; 80.625; 88.7
487.03Schmidmair, Daniela; Kahlenberg, Volker; Perfler, Lukas; Tribus, Martina; Hildebrandt, Johannes; Többens, Daniel M.
On the ambient pressure polymorph of K2Ca3Si3O10—An unusual mixed-anion silicate and its structural and spectroscopic characterization
Journal of Solid State Chemistry, 2015, 228, 90-98
4087811 CIFC18 H22 Cl2 F2 N2 Pd2P -17.1636; 8.0381; 9.4603
70.599; 72.092; 80.881
487.95Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.
The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)
Organometallics, 2015, 34, 4376
7154635 CIFC11 H4 O3 S2P 1 21 13.7349; 10.508; 12.512
90; 96.366; 90
488Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika
A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.
Organic & biomolecular chemistry, 2015, 13, 9462-9470
1520109 CIFAg0.8 In2.4 Te4P -4 2 c6.24929; 6.24929; 12.49988
90; 90; 90
488.166Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver
Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.
Inorganic chemistry, 2015, 54, 5745-5756
4516601 CIFC9 H6 O7 SrP -16.8546; 7.0142; 10.762
87.65; 82.614; 72.056
488.18Usman, Muhammad; Mendiratta, Shruti; Batjargal, Sainbileg; Haider, Golam; Hayashi, Michitoshi; Rao Gade, Narsinga; Chen, Jenq-Wei; Chen, Yang-Fang; Lu, Kuang-Lieh
Semiconductor Behavior of a Three-Dimensional Strontium-Based Metal-Organic Framework.
ACS applied materials & interfaces, 2015, 7, 22767-22774
4512649 CIFC5 H9 N2 O8 TmC 1 2 111.172; 7.102; 6.539
90; 109.472; 90
489.15Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
7220386 CIFC H Cu N7P 21 21 216.7352; 7.5089; 9.6823
90; 90; 90
489.67Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong
Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties
CrystEngComm, 2015, 17, 4136
1518591 CIFC18 H4 Au2 F8 N4P -13.5707; 10.3087; 14.2742
107.689; 92.505; 100.205
489.99Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime
Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence
Chem. Sci., 2015, 6, 2187
4512918 CIFO9 Rb2 Si3 ThP 63/m7.3064; 7.3064; 10.604
90; 90; 120
490.24Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.
Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions
Crystal Growth & Design, 2015, 15, 2643
1561760 CIFB7 Fe2P b a m16.5418; 10.5067; 2.8218
90; 90; 90
490.43Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7219212 CIFC2 H3 Cu N4 SP 1 21/c 17.807; 6.49; 10.879
90; 117.15; 90
490.5Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui
Crystal engineering towards the luminescence property trimming of hybrid coordination polymers
CrystEngComm, 2015, 17, 1686
7219677 CIFC18 H20 Cu N4 O6P -17.7444; 8.2359; 8.8697
66.62; 71.005; 82.957
490.99Croitor, Lilia; Grabco, Daria Z.; Coropceanu, Eduard B.; Pyrtsac, Constantin; Fonari, Marina S.
Structure and mechanical features of one-dimensional coordination polymer catena-{(μ2-adipato-O,O′)-bis(pyridine-4-aldoxime)-copper(ii)}
CrystEngComm, 2015, 17, 2450
1566261 CIFC3 Na8 O22 S2 UP -6 2 m9.0664; 9.0664; 6.911
90; 90; 120
491.97Jakub Plasil; Jan Hlousek; Anatoly V. Kasatkin; Dmitry I. Belakovskiy; Jiri Cejka; Dmitry Chernyshov
Jezekite, Na8[(UO2)(CO3)3](SO4)2 . 3H2O, a new uranyl mineral from Jachymov, Czech Republic
Journal of GeoSciences, 2015, 60, 259-267
4342571 CIFCe4 Ge4 In Ru2C 1 2/m 116.174; 4.3794; 7.2321
90; 106.144; 90
492.1Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur
Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.
Inorganic chemistry, 2015, 54, 2780-2792
1542836 CIFC22 H24 O8P -15.54; 8.259; 11.281
83.61; 83.275; 74.48
492.2Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R.
Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion
IUCrJ, 2015, 2, 653-660
7220416 CIFC26 H18 O4P -13.8538; 10.179; 13
97.18; 96.03; 100.6
493Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir
Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups.
Physical chemistry chemical physics : PCCP, 2015, 17, 13680-13688
1561759 CIFB7 Fe2P b a m16.6018; 10.529; 2.834
90; 90; 90
495.38Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7037004 CIFC18 H20 Cu N6 O8P -16.253; 7.052; 12.075
79.9; 88.21; 71.13
495.9Liu, Min-Min; Bi, Yan-Lin; Dang, Qin-Qin; Zhang, Xian-Ming
Reversible single-crystal-to-single-crystal transformation from a mononuclear complex to a fourfold interpenetrated MOF with selective adsorption of CO2.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 19796-19799
1518924 CIFC18 H30 F2 O2 P2P -17.226; 8.486; 8.626
95.31; 99.92; 105.63
496.4Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius
Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations
Inorganica Chimica Acta, 2015, 424, 275-285
9017100 CIFCa1.39 Cl0.72 Fe0.26 H0.28 Mn3.41 O12.28 P3P 63/m9.504; 9.504; 6.347
90; 90; 120
496.492Tait, K.; Ball, N. A.; Hawthorne, F. C.
Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake, Manitoba, Canada: Description and crystal structure
American Mineralogist, 2015, 100, 1047-1052
2106021 CIF
HKL
Paper
Li Na O4 SP 3 1 c7.6281; 7.6281; 9.8562
90; 90; 120
496.68Karppinen, Markku
Crystal structure, atomic net charges and electric moments in pyroelectric LiNaSO~4~ at 296K
Acta Crystallographica Section B, 2015, 71, 334-341
4512648 CIFC5 H9 Ho N2 O8C 1 2 111.2487; 7.1296; 6.5731
90; 109.51; 90
496.89Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
1520064 CIFC4 H2 N10 O7P 1 n 17.8; 8.2; 8.6
90; 115.4; 90
496.9Zhang, Jiaheng; Shreeve, Jean’ne M.
Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties
The Journal of Physical Chemistry C, 2015, 119, 12887
4342704 CIFF3 H6 Na Ni O3P n -3 :27.92133; 7.92133; 7.92133
90; 90; 90
497.043Gonzalo, Elena C.; Sanjuán, María Luisa; Hoelzel, Markus; Azcondo, M. Teresa; Amador, Ulises; Sobrados, Isabel; Sanz, Jesús; García-Alvarado, Flaviano; Kuhn, Alois
Synthesis and Characterization of NaNiF3·3H2O: An Unusual Ordered Variant of the ReO3 Type.
Inorganic chemistry, 2015, 54, 3172-3182
1529463 CIF
HKL
O8 P2 Sr3R -3 m :H5.387993; 5.387993; 19.78604
90; 90; 120
497.443Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu
Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets
The Journal of Physical Chemistry C, 2015, 119, 2038-2045
1562070 CIFGe PC 1 2/m 115.1948; 3.6337; 9.1941
90; 101.239; 90
497.9Lee, Kathleen; Synnestvedt, Sarah; Bellard, Maverick; Kovnir, Kirill
GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides
Journal of Solid State Chemistry, 2015, 224, 62-70
7236067 CIFC3 H8 N10 O4P -16.553; 8.471; 9.078
93.386; 91.224; 98.007
497.9Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang
Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials
Journal of Materials Chemistry A, 2015, 3, 14768
7036496 CIFC2 H4 O6 ZnC 1 2/c 111.786; 5.3955; 9.712
90; 126.22; 90
498.3Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan
Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 17980-17989
3000042 CIFAl2 Cs3 F9P 63/m m c6.2535; 6.2535; 14.7193
90; 90; 120
498.5Armel Le Bail; Lubomir Smrcok
Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~
Powder Diffraction, 2015, 30, 130-138
1562071 CIFGe0.93 P0.95 Sn0.12C 1 2/m 115.284; 3.622; 9.207
90; 101.787; 90
498.9Lee, Kathleen; Synnestvedt, Sarah; Bellard, Maverick; Kovnir, Kirill
GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides
Journal of Solid State Chemistry, 2015, 224, 62-70
4512643 CIFC5 H9 N2 O8 YC 1 2 111.2621; 7.1374; 6.5867
90; 109.523; 90
499.01Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
2241296 CIF
HKL
Paper
C10 H6 Br N O3 SP -17.068; 7.677; 9.9977
68.119; 86.049; 83.658
500.1Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
Crystal structure of (5<i>Z</i>)-5-(5-bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
Acta Crystallographica Section E, 2015, 71, o919-o920
7117259 CIFC9 H9 Br3P -17.6628; 9.0535; 9.0675
119.828; 106.926; 95.17
500.73Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
1561758 CIFB7 Fe2P b a m16.6754; 10.5521; 2.8464
90; 90; 90
500.85Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
2020111 CIF
HKL
Paper
C9 H14 Br NP 1 21 15.2366; 8.4264; 11.3895
90; 94.079; 90
501.3Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon
The hydrochloride and hydrobromide salt forms of (S)-amphetamine
Acta Crystallographica Section C Structural Chemistry, 2015, 71
7234287 CIFC6 H8 Mn N2 O6P -4 21 m8.8169; 8.8169; 6.4562
90; 90; 90
501.89Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu
A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture
Journal of Materials Chemistry C, 2015, 3, 6350-6358
7117260 CIFC9 H9 Br3P -17.6795; 9.0494; 9.0657
119.817; 106.887; 95.081
502.02Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
4087805 CIFC18 H20 Cl2 F4 N2 Pd2P -17.3719; 8.4847; 9.1417
81.053; 66.775; 73.087
502.19Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.
The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)
Organometallics, 2015, 34, 4376
2241203 CIF
HKL
N O PC 1 2/c 16.9464; 12.034; 6.9463
90; 119.914; 90
503.3Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data
Acta Crystallographica Section E, 2015, 71, 1325-1327
7117669 CIFC12 H11 N O2P 1 21 17.7718; 5.5207; 11.7443
90; 91.969; 90
503.6Dipak Kumar Tiwari; Jaya Pogula; B. Sridhar; Dharmendra Kumar Tiwari; Pravin R. Likhar
Nano-copper catalysed highly regioselective synthesis of 2,4-disubstituted pyrroles from terminal alkynes and isocyanides
Chem.Commun., 2015, 51, 13646
4513789 CIFC8 H11 N5 O3P -16.6058; 8.7163; 8.8843
81.34; 87.63; 87.47
504.9Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William
Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals
Crystal Growth & Design, 2015
1519398 CIFC8 H6 F4 O6P 1 21/c 18.5417; 8.0442; 7.4465
90; 99.017; 90
505.33Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong
Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters
Chem. Sci., 2015, 6, 4438
4512647 CIFC5 H9 N2 O8 TbC 1 2 111.3379; 7.1677; 6.608
90; 109.69; 90
505.61Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
7223795 CIFC9 H7 Cl2 Hg NP -17.3885; 7.6432; 9.6655
68.076; 87.897; 88.821
506Slabbert, C.; Rademeyer, M.
Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands
CrystEngComm, 2015, 17, 9070
7117261 CIFC9 H9 Br3P -17.7114; 9.0669; 9.0829
119.802; 106.864; 95.034
506.39Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
7219800 CIFC13 H7 F4 NP 1 21 19.756; 4.6737; 11.257
90; 99.132; 90
506.8Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
1559837 CIFB O13 Si2 Tb5P 63/m9.2569; 9.2569; 6.8297
90; 90; 120
506.83Chen, Pengyun; Li, R.K.
Two high terbium content apatites: Tb5Si2BO13 and Tb4.66Si3O13
Journal of Alloys and Compounds, 2015, 622, 859-864
2240766 CIF
HKL
Paper
C12 H16 B2 Co F8 N4 O2P -17.9839; 8.3434; 8.8441
71.38; 88.458; 66.184
507.2Son, Jung-Su; Lim, Sung-Chul; Lee, Hochun; Hong, Seung-Tae
Crystal structure of <i>catena</i>-poly[[[diaquacobalt(II)]-bis(μ-hex-3-enedinitrile-κ^2^<i>N</i>:<i>N</i>')] bis(tetrafluoridoborate)]
Acta Crystallographica Section E, 2015, 71, m135-m136
7235812 CIFC8 H20 N22 O6P -16.4916; 7.9296; 10.1535
87.069; 77.437; 84.279
507.37Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
7117262 CIFC9 H9 Br3P -17.7305; 9.0698; 9.0855
119.773; 106.867; 95.034
508.12Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
4030583 CIFC11 H12 N2 O2P -16.9967; 8.5345; 9.7334
110.752; 94.833; 106.902
508.51Guthrie, Daryl A.; Ho, Anthony; Takahashi, Cyrus G.; Collins, Anthony; Morris, Matthew; Toscano, John P.
"Catch-and-Release" of HNO with Pyrazolones.
The Journal of organic chemistry, 2015, 80, 1338-1348
7035130 CIFC12 H16 N4 O16 V2P 16.783; 8.81; 9.363
65.79; 87.94; 85.27
508.6Lankelma, Marianne; de Boer, Jeroen; Ferbinteanu, Marilena; Dantas Ramos, André Luis; Tanasa, Radu; Rothenberg, Gadi; Tanase, Stefania
A novel one-dimensional chain built of vanadyl ions and pyrazine-2,5-dicarboxylate.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 11380-11387
7054480 CIFC4 K2 N10 O4P -17.1412; 7.2056; 11.498
89.658; 73.514; 64.814
508.88Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.
Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles
New J. Chem., 2015, 39, 1619
2240303 CIF
HKL
Paper
C10 H13 N O2 SP -15.5865; 9.2195; 10.1924
85.798; 84.686; 77.166
508.89Jeyaseelan, S.; Nagendra Babu, S. L.; Venkateshappa, G.; Raghavendra Kumar, P.; Palakshamurthy, B. S.
Crystal structure of 1-methanesulfonyl-1,2,3,4-tetrahydroquinoline
Acta Crystallographica Section E, 2015, 71, o20
7218434 CIFC20 H20 Cd N12 O3P -17.563; 8.34; 9.721
68.15; 79.933; 63.506
509.3Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang
Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations
CrystEngComm, 2015, 17, 947
7117914 CIFF4 Mo Na2 O2P 1 21/c 15.48; 5.701; 16.319
90; 91.316; 90
509.7Hajime Ishikawa; Irene Munao; Bela E. Bode; Zenji Hiroi; Philip Lightfoot
Na2MoO2-deltaF4+delta - a perovskite with a unique combination of atomic orderings and octahedral tilts
Chem.Commun., 2015, 51, 15469
4512646 CIFC5 H9 Gd N2 O8C 1 2 111.38; 7.182; 6.628
90; 109.754; 90
509.8Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
7118106 CIFC12 H13 N SP 1 21 15.9732; 7.2898; 11.9181
90; 100.646; 90
510.02Yu Jiang; Run Sun; Qiang Wang; Xiang-Ying Tang; Min Shi
Cyclization of sulfide, ether or tertiary amine-tethered N-sulfonyl-1,2,3-triazoles: a facile synthetic protocol for 3-substituted isoquinolines or dihydroisoquinolines
Chem.Commun., 2015, 51, 16968
4124718 CIFC21 H38 O6P 16.2827; 7.1127; 12.6469
91.304; 91.32; 115.381
510.13See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.
Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.
Journal of the American Chemical Society, 2015, 137, 13776-13779
7154705 CIFC12 H8 O2 SP 1 21 16.1577; 7.3665; 11.253
90; 91.935; 90
510.15Yohda, Masaaki; Yamamoto, Yasunori
Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones.
Organic & biomolecular chemistry, 2015, 13, 10874-10880
7218973 CIFC24 H16 F4 N2 O4P -16.916; 6.922; 11.215
88.869; 88.15; 72.09
510.6Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.
IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons
CrystEngComm, 2015, 17, 1273
1518526 CIFC12 H11 N O2P -14.00444; 11.1381; 12.202
71.955; 89.514; 80.992
510.62Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.
Increased carrier mobility in end-functionalized oligosilanes
Chem. Sci., 2015, 6, 1905
4124627 CIFF14 O10 Re4 Xe3P -17.7142; 8.0991; 10.0494
88.2797; 69.1278; 62.0249
510.91Ivanova, Maria V.; Mercier, Hélène P A; Schrobilgen, Gary J.
[XeOXeOXe](2+), the Missing Oxide of Xenon(II); Synthesis, Raman Spectrum, and X-ray Crystal Structure of [XeOXeOXe][μ-F(ReO2F3)2]2.
Journal of the American Chemical Society, 2015, 137, 13398-13413
4031295 CIFC9 H11 Cl N4P -16.9943; 7.3867; 10.468
97.082; 106.868; 92.782
511.58Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar
Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.
The Journal of organic chemistry, 2015, 80, 7757-7763
4513788 CIFC8 H11 N5 O3P 1 21/m 18.7314; 6.6582; 8.8996
90; 98.546; 90
511.64Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William
Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals
Crystal Growth & Design, 2015
7117263 CIFC9 H9 Br3P -17.7631; 9.0805; 9.0999
119.76; 106.811; 95.019
512.06Viswanadha G. Saraswatula; Binoy K. Saha
A thermal expansion investigation of the melting point anomaly in trihalomesitylenes
Chem.Commun., 2015, 51, 9829
7035619 CIFC3 H10 In N O10 P2P -17.6595; 8.455; 9.6469
91.768; 111.205; 115.495
512.65Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui
Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 13485-13489
1518846 CIFC10 H9 Br Cl N O2P 1 21 15.928; 7.6682; 11.3533
90; 95.944; 90
513.31Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao
Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion
Chem. Sci., 2015, 6, 3044
4512645 CIFC5 H9 Eu N2 O8C 1 2 111.4164; 7.1985; 6.6405
90; 109.829; 90
513.37Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
7054645 CIFC22 H22 N6 O4P -14.8468; 9.2594; 12.245
69.536; 89.567; 85.993
513.51Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John
Molecular electrostatic potential dependent selectivity of hydrogen bonding
New J. Chem., 2015, 39, 822
7221907 CIFC4 H11 Ga N O8 P2P -18.301; 8.3046; 8.9569
66.51; 65.63; 76
513.61Wang, Guo-Ming; Li, Jinhua; Wei, Li; Zhang, Xiao; Bao, Zhenzhen
Concise template syntheses of gallium phosphates driven by in situ direct alkylation of aliphatic and aromatic precursors by methanols
RSC Adv., 2015
4129373 CIFC8 H14 Br Cl O2P 1 21 17.9216; 7.4237; 8.8915
90; 100.751; 90
513.71Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.
Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.
Journal of the American Chemical Society, 2015, 137, 3795-3798
1561757 CIFB7 Fe2P b a m16.846; 10.6107; 2.8751
90; 90; 90
513.92Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7054756 CIFC8 H11 Cd N O7P -17.7683; 8.6089; 8.6695
84.04; 76.23; 66.04
514.6Wang, Fengqin; Dong, Caifu; Wang, Chengmiao; Yu, Zongchao; Guo, Shukun; Wang, Zechuan; Zhao, Yongnan; Li, Guodong
Fluorescence detection of aromatic amines and photocatalytic degradation of rhodamine B under UV light irradiation by luminescent metal‒organic frameworks
New J. Chem., 2015, 39, 4437
2240491 CIF
HKL
Paper
C12 H38 N6 P2 PtP -17.8871; 7.9499; 9.891
76.807; 73.241; 60.652
514.8Downs, Emma L.; Zakharov, Lev N.; Tyler, David R.
Crystal structure of <i>trans</i>-dihydridobis[tris(dimethylamino)phosphane-κ<i>P</i>]platinum(II)
Acta Crystallographica Section E, 2015, 71, m83-m84
7223502 CIFC25 H28 O4P 15.7508; 10.2102; 10.3282
60.929; 80.487; 76.75
514.89Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah
Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes
RSC Adv., 2015, 5, 106860
4123415 CIFC22 H22 Br N O3 SP 17.4326; 8.4705; 8.8458
74.143; 74.315; 83.209
515.18Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei
Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.
Journal of the American Chemical Society, 2015, 137, 2303-2310
7054487 CIFC9 H16 N2 O3P -16.9516; 8.1294; 9.6234
74.586; 80.157; 83.657
515.35Maton, C.; Van Hecke, K.; Stevens, C. V.
Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure
New J. Chem., 2015, 39, 461
1519399 CIFC10 H6 F4 O4P 1 21/n 16.332; 4.701; 17.423
90; 95.605; 90
516.1Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong
Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters
Chem. Sci., 2015, 6, 4438
7220596 CIFC6 H6 N5 O5 S Zn0.5P -16.6953; 8.7758; 10.028
64.41; 76.36; 82.37
516.1Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand
CrystEngComm, 2015, 17, 5054
4512917 CIFCs2 O9 Si3 ThP 63/m7.4738; 7.4738; 10.674
90; 90; 120
516.35Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.
Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions
Crystal Growth & Design, 2015, 15, 2643
4512644 CIFC5 H9 N2 O8 SmC 1 2 111.43; 7.22; 6.655
90; 109.912; 90
516.4Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.
Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals
Crystal Growth & Design, 2015, 15, 1119
1540602 CIFC13 H12 O2P -18.1069; 8.3799; 8.9188
102.823; 100.864; 113.21
516.59Sekine, Kohei; Sadamitsu, Yuta; Yamada, Tohru
SilverCatalyzed Cascade Carboxylation and Cyclization of Trimethyl(2-methylenebut-3-yn-1-yl)silane Derivatives.
Organic letters, 2015, 17, 5706-5709
1561908 CIFPr3 S7 Sb0.33 SiP 6310.224; 10.224; 5.711
90; 90; 120
517Zhao, Hua-Jun
Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)
Journal of Solid State Chemistry, 2015, 227, 5-9
1518947 CIFC10 H9 F3 N2 OP 1 21 19.0634; 5.8062; 9.8369
90; 90.567; 90
517.63Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui
Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers
Chem. Sci., 2015, 6, 3415
1561756 CIFB7 Fe2P b a m16.9005; 10.6248; 2.8834
90; 90; 90
517.76Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
4512768 CIFC13 H5 F4 NP -15.9023; 9.8718; 10.399
63.113; 74.909; 77.066
517.8Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery
The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force
Crystal Growth & Design, 2015, 15, 1634
7219472 CIFC5 H3 N3P 21 21 213.97105; 8.1277; 16.0709
90; 90; 90
518.696Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee
Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine
CrystEngComm, 2015, 17, 2190
4341394 CIFCu4 Ho Mn P3P n m a12.6489; 3.7755; 10.8632
90; 90; 90
518.78Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur
Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.
Inorganic chemistry, 2015, 54, 860-866
7220242 CIFC14 H18 Cu N4 O14P -17.256; 7.425; 9.897
89.716; 77.622; 86.15
519.6Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping
Isolation of first row transition metal‒carboxylate zwitterions
RSC Adv., 2015
2241302 CIF
HKL
C22 H30 Fe O4P -16.273; 8.313; 10.49
83.833; 74.405; 81.652
520Guo, Yan-Feng; Wang, Jian-Jun; Xu, Wei-Juan; Sun, Dong-Hao; Gao, Qiang
Crystal structure of 1,1'-bis(2-methoxycarbonyl-2-methylpropyl)ferrocene
Acta Crystallographica Section E, 2015, 71, m213-m214
7219797 CIFC13 H7 F4 NP -16.8244; 7.6412; 10.8203
79.604; 83.948; 69.737
520.07Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
4341393 CIFCu4 Dy Mn P3P n m a12.6485; 3.7841; 10.868
90; 90; 90
520.18Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur
Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.
Inorganic chemistry, 2015, 54, 860-866
4036290 CIFC11 H14 N2 O2P 1 21 15.3134; 8.1507; 12.0605
90; 93.485; 90
521.35Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P
Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.
The Journal of organic chemistry, 2015, 80, 11755-11767
4513464 CIFC10 H12 N2 O4P -15.5336; 8.9229; 10.9447
87.095; 89.016; 75.137
521.65Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea
Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts
Crystal Growth & Design, 2015, 15, 3905
4342127 CIFAl3.774 Gd3 N1.226 O12.774 Si2.226C 1 2 113.67681; 7.86858; 4.85157
90; 89.843; 90
522.11Park, Woon Bae; Singh, Satendra Pal; Kim, Minseuk; Sohn, Kee-Sun
Combinatorial Screening of Luminescent and Structural Properties in a Ce(3+)-Doped Ln-Al-Si-O-N (Ln = Y, La, Gd, Lu) System: The Discovery of a Novel Gd3Al3+xSi3-xO12+xN2-x:Ce(3+) Phosphor.
Inorganic chemistry, 2015, 54, 1829-1840
4341392 CIFCu4 Mn P3 TbP n m a12.6535; 3.7955; 10.8761
90; 90; 90
522.34Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur
Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.
Inorganic chemistry, 2015, 54, 860-866
7219802 CIFC13 H7 F4 NP -16.7242; 8.3077; 10.3309
74.956; 73.491; 74.437
522.43Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
1529462 CIFBa1.16 O12 P3 Sr3.34R -3 m :H5.46471; 5.46471; 20.22347
90; 90; 120
523.023Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu
Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets
The Journal of Physical Chemistry C, 2015, 119, 2038-2045
1561766 CIFB7 Fe2P b a m16.9699; 10.652; 2.8938
90; 90; 90
523.09Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Journal of Solid State Chemistry, 2015, 230, 102-109
7154464 CIFC11 H19 N OP 1 21 17.7588; 5.5583; 12.2776
90; 97.98; 90
524.35Alves, Leandro de C; Desiderá, André L; de Oliveira, Kleber T.; Newton, Sean; Ley, Steven V.; Brocksom, Timothy J.
A practical deca-gram scale ring expansion of (R)-(-)-carvone to (R)-(+)-3-methyl-6-isopropenyl-cyclohept-3-enone-1.
Organic & biomolecular chemistry, 2015, 13, 7633-7642
2240974 CIF
HKL
Paper
C12 H12 N2 O2P 1 21 16.4235; 10.8139; 8.0123
90; 109.462; 90
524.76Kusano, Yukiko; Ohno, Keiji; Fujihara, Takashi
Crystal structure of 4,4'-dimethoxy-2,2'-bipyridine
Acta Crystallographica Section E, 2015, 71, o623-o624
2019898 CIF
HKL
C9 H13 N3 O4P -16.0184; 7.4714; 12.0911
84.371; 89.906; 76.094
525.07Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.
Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid
Acta Crystallographica Section C, 2015, 71
7219799 CIFC13 H7 F4 NP -16.8223; 7.5505; 11.2975
80.541; 86.409; 66.173
525.11Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
7220597 CIFC6 H6 Co0.5 N5 O5 SP -16.7656; 8.7886; 10.0635
64.603; 76.394; 82.581
525.11Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand
CrystEngComm, 2015, 17, 5054
7220122 CIFC12 H11 N3P 1 21 13.989; 14.0371; 9.543
90; 100.572; 90
525.28Gupta, Vinod Kumar; Singh, Ram Adhar
An investigation on single crystal growth, structural, thermal and optical properties of a series of organic D‒π‒A push-pull materials
RSC Adv., 2015
7219798 CIFC13 H7 F4 NP 1 21 111.0553; 3.6976; 13.0135
90; 98.716; 90
525.82Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
7219787 CIFC13 H7 F4 NP 1 n 14.5622; 9.994; 11.5383
90; 90.826; 90
526.03Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
4341391 CIFCu4 Gd Mn P3P n m a12.667; 3.8119; 10.895
90; 90; 90
526.07Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur
Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.
Inorganic chemistry, 2015, 54, 860-866
2241089 CIF
HKL
Paper
C9 H9 N3 O2 SP -14.7454; 8.5691; 13.3886
81.386; 82.878; 79.416
526.52Tahir, Muhammad Nawaz; Anwar-ul-Haq, Muhammad; Choudhary, Muhammad Aziz
Crystal structure of 4-[(<i>E</i>)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid
Acta Crystallographica Section E, 2015, 71, o772
7219814 CIFC13 H7 F4 NP -16.7897; 6.8031; 12.0624
84.037; 85.232; 72.402
527.44Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
4341640 CIFC8 H10 N4 Ni O6P 1 21/c 15.0879; 11.2855; 9.2686
90; 97.216; 90
527.98Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M
Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.
Inorganic chemistry, 2015, 54, 241-252
1561984 CIFC8 H5 Cu N7 O2P -16.8166; 8.0452; 11.276
97.33; 106.82; 112.17
528.3Zhang, Shu-Ming; Chen, Yu-Huan; Wang, Li-Hua; Wang, Gui-Xiang
Two novel azido-copper(II) complexes with 4-(1H-tetrazol-1-yl) carboxylate: Synthesis, crystal structure, and magnetism
Journal of Solid State Chemistry, 2015, 226, 201-205
4342030 CIFBi2 Cl5 Ga Se2C 1 2/m 112.6243; 4.0495; 10.4926
90; 99.945; 90
528.34Eich, Andreas; Bredow, Thomas; Beck, Johannes
Mixed pentele-chalcogen cationic chains from aluminum and gallium halide melts.
Inorganic chemistry, 2015, 54, 484-491
1540590 CIFC15 H7 F O2P -17.2431; 9.1369; 9.4709
67.245; 89.096; 67.767
528.73Wu, Xunshen; Yang, Yang; Han, Jianwei; Wang, Limin
Palladium Catalyzed C-I and Vicinal C-H Dual Activation of Diaryliodonium Salts for Diarylation: Synthesis of 4,5-Benzocoumarins.
Organic letters, 2015, 17, 5654-5657
7036974 CIFC10 H10 Mg O6P 1 21/c 111.34; 6.6324; 7.1986
90; 102.313; 90
528.96Xu, Feng; Wang, Hao; Teat, Simon J.; Liu, Wei; Xia, Qibin; Li, Zhong; Li, Jing
Synthesis, structure and enhanced photoluminescence properties of two robust, water stable calcium and magnesium coordination networks.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20459-20463
7234005 CIFC14 H8 S2P 1 21/c 111.8095; 5.8538; 7.9599
90; 105.99; 90
528.98Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts
Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties
Journal of Materials Chemistry C, 2015, 3, 674-685
4513598 CIFC4 H21 N O6P 1 21/m 17.7347; 8.094; 8.6976
90; 103.683; 90
529.06Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.
Pyrrolidine and Its Hydrates in the Solid State
Crystal Growth & Design, 2015, 15, 4804
7034471 CIFC H6 N4 O4P 1 21/n 13.6434; 13.7827; 10.6457
90; 98.23; 90
529.08Haiges, Ralf; Christe, Karl O.
5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10166-10176
2240287 CIF
HKL
C9 H13 Cl2 N O2P 1 21 15.9548; 10.551; 8.5747
90; 100.568; 90
529.6Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang
Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)butane-1,3-dione
Acta Crystallographica Section E, 2015, 71, o19
4129553 CIFC9 H9 Br2 IP -17.7672; 9.2673; 9.2845
119.915; 95.254; 107.197
529.812Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki
Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.
Journal of the American Chemical Society, 2015, 137, 13155-13160
7118011 CIFC26 H22 Br N O3P 16.2811; 7.9645; 11.2853
71.701; 89.752; 81.716
529.91Keiji Mori; Ayaka Miyake; Takahiko Akiyama
Enantioselective synthesis of fused heterocycles with contiguous stereogenic centers by chiral phosphoric acid catalyzed symmetry breaking
Chem.Commun., 2015, 51, 16107
7154684 CIFC4 H3 N5 OP n m a13.1418; 5.9625; 6.768
90; 90; 90
530.33Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.
Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.
Organic & biomolecular chemistry, 2015, 13, 10620-10630
7033683 CIFC16 H16 Eu2 N2 O18P -16.6723; 8.3982; 10.312
75.47; 71.695; 88.038
530.43Yu, Yanyan; Zhang, Lijuan; Zhou, Yunshan; Zuhra, Zareen
Two series of reactant's ratio-dependent lanthanide organic frameworks derived from nicotinic acid N-oxide and oxalate: synthesis, crystal structures and luminescence properties.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 4601-4612
7219805 CIFC13 H7 F4 NP -13.7169; 11.5058; 12.53
97.022; 93.644; 91.313
530.51Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
7219803 CIFC13 H7 F4 NP 1 21 13.8029; 11.4621; 12.2186
90; 94.778; 90
530.75Kaur, Gurpreet; Choudhury, Angshuman Roy
A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses
CrystEngComm, 2015, 17, 2949
7154314 CIFC4 H5 F2 N O2P 1 21/c 19.2697; 5.3382; 10.8156
90; 96.537; 90
531.71Mykhailiuk, Pavel K.
Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.
Organic & biomolecular chemistry, 2015, 13, 3438-3445
1529240 CIF
HKL
C8 H15 N3 O2 SP -18.472; 8.853; 8.964
98.436; 116.059; 109.916
531.8Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor
Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes
Polyhedron, 2015, 98, 113
4512767 CIFC13 H5 F4 NP -15.9634; 8.768; 11.076
99.846; 105.527; 101.235
531.8Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery
The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force
Crystal Growth & Design, 2015, 15, 1634
1556761 CIFC11 H11 N O6P -16.7358; 6.9119; 12.3937
74.468; 85.298; 73.28
532.43Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.
Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.
IUCrJ, 2015, 2, 341-351
7235982 CIFC12 H9 N O5P 1 21 17.201; 10.323; 7.211
90; 96.096; 90
533Cui, L.-Y.; Wang, Y.-H.; Chen, S.-R.; Wang, Y.-M.; Zhou, Z.-H.
Stereocontrolled construction of 3H-furo[3,4-b]chromen-1(9H)-one scaffolds via organocatalyzed Michael addition and the following intramolecular dehydration
RSC Advances, 2015, 5, 88133
4513599 CIFC4 H21 N O6P 1 21/m 17.7773; 8.1088; 8.6962
90; 103.605; 90
533.03Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.
Pyrrolidine and Its Hydrates in the Solid State
Crystal Growth & Design, 2015, 15, 4804
4516261 CIFC3 H6 N6P 1 21/n 17.2789; 7.4799; 10.3316
90; 108.495; 90
533.46Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin
Solvent Dependent Structures of Melamine: Porous or Nonporous?
Crystal Growth & Design, 2015, 15, 1871
7055074 CIFC6 H6 I2 O4P 1 21/c 18.6795; 7.5937; 8.552
90; 108.798; 90
533.59Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin
Halogen bonding in the crystal structures of 1,2-diiodo alkenes
New J. Chem., 2015, 39, 8522
4085945 CIFC8 H7 B F4 O2 SiP -17.0586; 8.2461; 9.2426
85.359; 86.532; 85.636
533.86Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech
Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity
Organometallics, 2015, 34, 2924
4516516 CIFC13 H6 F5 NP -15.766; 9.081; 10.927
70.74; 85.15; 81.57
533.9Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.
Finding the Perfect Match: Halogen vs Hydrogen Bonding
Crystal Growth & Design, 2015, 15, 4756
7235823 CIFC4 H14 N12 O2P 1 21/c 15.0366; 8.603; 12.4842
90; 98.924; 90
534.39Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Journal of Materials Chemistry A, 2015, 3, 2658
4341639 CIFC8 H10 Co N4 O6P 1 21/c 15.0874; 11.4002; 9.288
90; 96.932; 90
534.74Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M
Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.
Inorganic chemistry, 2015, 54, 241-252
1559836 CIFO13 Si3 Tb4.66P 63/m9.493; 9.493; 6.852
90; 90; 120
534.8Chen, Pengyun; Li, R.K.
Two high terbium content apatites: Tb5Si2BO13 and Tb4.66Si3O13
Journal of Alloys and Compounds, 2015, 622, 859-864
7154395 CIFC12 H9 N O3P -14.9159; 9.8984; 11.3114
88.785; 78.349; 82.913
534.94Wang, Shichao; Li, Yong; Liu, Hui; Li, Jinpeng; Li, Tiesheng; Wu, Yangjie; Okada, Shuji; Nakanishi, Hachiro
Topochemical polymerization of unsymmetrical aryldiacetylene supramolecules with nitrophenyl substituents utilizing C-Hπ interactions.
Organic & biomolecular chemistry, 2015, 13, 5467-5474
1519618 CIFC11 H8 Br N O3P -14.108; 11.388; 11.496
93.34; 94.58; 90.96
535.05Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji
Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides
Macromolecules, 2015, 48, 2935
4343606 CIFC14 H10 N2 OP -17.7275; 8.7217; 8.9532
69.2; 74.194; 75.677
535.09Sommer, Samantha K.; Henle, Ernst A.; Zakharov, Lev N.; Pluth, Michael D.
Selection for a Single Self-Assembled Macrocycle from a Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Ligand Subunit.
Inorganic chemistry, 2015, 54, 6910-6916
1561907 CIFLa3 S7 Sb0.33 SiP 6310.37; 10.37; 5.7549
90; 90; 120
536Zhao, Hua-Jun
Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)
Journal of Solid State Chemistry, 2015, 227, 5-9
7117405 CIFC H8 I3 N O PbP 1 21/m 110.469; 4.6557; 11.214
90; 101.251; 90
536.07Gregory H. Imler; Xia Li; Bolei Xu; Graham E. Dobereiner; Hai-Lung Dai; Yi Rao; Bradford B. Wayland
Solid state transformation of the crystalline monohydrate (CH3NH3)PbI3(H2O) to the (CH3NH3)PbI3 perovskite
Chem.Commun., 2015, 51, 11290
1561873 CIFAs F7 HgP 1 21/c 17.0645; 9.9023; 7.8686
90; 102.96; 90
536.42Mazej, Zoran; Goreshnik, Evgeny A.
Synthesis and crystal structures of HgFAsF6, Hg(HF)2(AsF6)2, Hg(HF)(AsF6)2 and Hg(AsF6)(SO3F)
Journal of Solid State Chemistry, 2015, 228, 53-59
4343181 CIFCs F3 O9 Se2 Ti3P 63 m c7.242; 7.242; 11.8152
90; 90; 120
536.65Cao, Xue-Li; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao
Cs(TaO2)3(SeO3)2 and Cs(TiOF)3(SeO3)2: Structural and Second Harmonic Generation Changes Induced by the Different d(0)-TM Coordination Octahedra.
Inorganic chemistry, 2015, 54, 3875-3882
4513786 CIFC9 H13 N5 O3P -17.6545; 8.3489; 8.954
90.552; 91.339; 110.177
536.86Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William
Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals
Crystal Growth & Design, 2015
4129292 CIFC10 H11 Br O2 SP 1 21 18.385; 5.7634; 11.4508
90; 104.014; 90
536.9Lim, Kelvin Meng-Hui; Hayashi, Tamio
Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones.
Journal of the American Chemical Society, 2015, 137, 3201-3204
4030979 CIFC12 H8 I N3P -17.4374; 8.7655; 9.8437
113.251; 92.4; 111.062
537.44Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.
Preparation and X-ray Structural Study of Dibenziodolium Derivatives.
The Journal of organic chemistry, 2015, 80, 5783-5788
9017852 CIFC2 H12 Al2 Ca O14P -15.71; 6.54; 14.64
81.8; 83.9; 86.5
537.469Stachowicz, M.; Parafiniuk, J.; Wilson, C.; Coles, S.; Wozniak, K.
Applications of Hirshfeld surfaces to mineralogy: An example of alumohydrocalcite, and the classification of the dundasite group minerals
American Mineralogist, 2015, 100, 110-119
1518905 CIFC32 H22 O2P -14.03807; 9.6563; 14.1332
78.7; 86.786; 84.501
537.53Niu, Caixia; Liu, Qiuling; Shang, Zhehai; Zhao, Liu; Ouyang, Jin
Dual-emission fluorescent sensor based on AIE organic nanoparticles and Au nanoclusters for the detection of mercury and melamine.
Nanoscale, 2015, 7, 8457-8465
4087458 CIFC9 H7 Au Cl F3 N2P 1 21/m 19.03; 6.5561; 9.5756
90; 108.303; 90
538.21Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio
Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes
Organometallics, 2015, 34, 1384
7219135 CIFC8 H13 F2 N3 O3 SP 1 21 15.3598; 12.0206; 8.6306
90; 104.55; 90
538.22Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra
Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts
CrystEngComm, 2015, 17, 5187
2106022 CIF
HKL
Paper
F6 K2 SiF m -3 m8.1345; 8.1345; 8.1345
90; 90; 90
538.26Göbel, Ole F.; ten Elshof, Johan E.; Kaminsky, Werner; Hannss, Matthias
Optical anomaly in artificial cubic hieratite, K~2~[SiF~6~]
Acta Crystallographica Section B, 2015, 71, 328-333
2241030 CIF
HKL
Paper
C8 H5 Br3 F N OP -16.1825; 8.929; 9.971
85.858; 87.966; 78.919
538.6Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.
Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides
Acta Crystallographica Section E, 2015, 71, 1048-1053
1520061 CIFO7 Te Th WP 1 21/c 14.1252; 8.5122; 15.364
90; 92.599; 90
538.94Xiao, Bin; Klinkenberg, Martina; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.
Effects of Te(IV) Oxo-Anion Incorporation into Thorium Molybdates and Tungstates.
Inorganic chemistry, 2015, 54, 5981-5990
1548235 CIFH14 Mo6 N2 O24 TeP 312.56; 12.56; 3.944
90; 90; 120
539Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda
Ultrathin inorganic molecular nanowire based on polyoxometalates
Nature Communications, 2015, 6, 7731
1548222 CIFC9 H12 I N O3P 1 21 16.2312; 5.2898; 16.469
90; 96.772; 90
539.06Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo
Supramolecular amplification of amyloid self-assembly by iodination
Nature Communications, 2015, 6, 7574
2105999 CIF
HKL
C16 H16P -4 n 27.6619; 7.6619; 9.183
90; 90; 90
539.085Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar
Charge density investigations on [2,2]-paracyclophane ‒ in data we trust
Acta Crystallographica Section B, 2015, 71
4123523 CIFC22 H24 N2 O6 SP 17.7594; 8.0085; 8.9723
104.122; 93.894; 90.639
539.23Kramer, Søren; Fu, Gregory C.
Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles
Journal of the American Chemical Society, 2015, 150317085953008
2106001 CIF
HKL
C16 H16P -4 n 27.6648; 7.6648; 9.1858
90; 90; 90
539.658Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar
Charge density investigations on [2,2]-paracyclophane ‒ in data we trust
Acta Crystallographica Section B, 2015, 71
2020281 CIF
HKL
Paper
C12 H9 N3 O3P -16.0535; 7.4159; 13.2548
85.612; 81.9; 66.398
539.69Thorat, Shridhar H.; Sahu, Sanjay Kumar; Gonnade, Rajesh G.
Crystal structures of the pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)benzoic acid in the molten state
Acta Crystallographica Section C, 2015, 71
1556760 CIFC11 H11 N O5P -16.5133; 8.1853; 11.4965
103.458; 93.925; 113.018
539.85Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.
Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.
IUCrJ, 2015, 2, 341-351
1551972 CIFC7 H6 F8 O3 SP 1 21 15.6059; 7.4253; 13.076
90; 97.192; 90
540Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan
All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane
Nature Chemistry, 2015, 7, 483-488
7234398 CIFAu7 Sn3 Y3P 63/m8.148; 8.148; 9.394
90; 90; 120
540.11Alessia Provino; Simon Steinberg; Volodymyr Smetana; Ruta Kulkarni; Sudesh K. Dhar; Pietro Manfrinetti; Anja-Verena Mudring
Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties
Journal of Materials Chemistry C, 2015, 3, 8311-8321
4513600 CIFC4 H21 N O6P 1 21/m 17.8605; 8.1447; 8.6837
90; 103.559; 90
540.45Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.
Pyrrolidine and Its Hydrates in the Solid State
Crystal Growth & Design, 2015, 15, 4804
7033641 CIFC6 H12 N6 O4P -17.3101; 8.1876; 9.947
73.347; 73.673; 77.13
540.79Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.
Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 2978-2988
2105998 CIF
Paper
C16 H16P -4 n 27.6726; 7.6726; 9.191
90; 90; 90
541.063Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar
Charge density investigations on [2,2]-paracyclophane ‒ in data we trust
Acta Crystallographica Section B, 2015, 71
7223141 CIFC4 H14 N2 O7 S2 ZnP -18.1135; 8.4917; 8.8022
87.946; 88.256; 63.296
541.35Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath
Organically Templated Linear Metal Sulfites
RSC Adv., 2015
7223796 CIFC9 H7 Br2 Hg NP -17.6214; 7.6716; 10.0092
112.155; 91.133; 91.574
541.52Slabbert, C.; Rademeyer, M.
Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands
CrystEngComm, 2015, 17, 9070
2019746 CIF
HKL
Paper
C9 H12 N2 O3 SP -15.3065; 8.446; 12.1459
91.81; 92.977; 94.585
541.54Gerhardt, Valeska; Bolte, Michael
3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution
Acta Crystallographica Section C Structural Chemistry, 2015, 71
2106000 CIFC16 H16P -4 n 27.6761; 7.6761; 9.1966
90; 90; 90
541.887Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar
Charge density investigations on [2,2]-paracyclophane ‒ in data we trust
Acta Crystallographica Section B, 2015, 71
2107266 CIF
HKL
Paper
Li0.5 Mn2 O4P 21 38.152889; 8.152889; 8.152889
90; 90; 90
541.919Bianchini, Matteo; Fauth, François; Suard, Emmanuelle; Leriche, Jean-Bernard; Masquelier, Christian; Croguennec, Laurence
Spinel materials for Li-ion batteries: new insights obtained by <i>operando</i> neutron and synchrotron X-ray diffraction
Acta Crystallographica Section B, 2015, 71
1562106 CIFC10 H10 O5 PbP -17.2628; 7.3933; 10.49
81.604; 83.479; 77.488
542Wu, Yunlong; Zhao, Yanqing; Yang, Guo-Ping; Guo, Yanjun; Wang, Yao-Yu; Shi, Qi-Zhen
Influence of the steric effect of flexible isomeric phenylenediacetic acids on the resultant lead(II) coordination polymers
Journal of Solid State Chemistry, 2015, 223, 131-137
4036310 CIFC12 H14 N2 O2P -17.7458; 8.3388; 9.2703
77.293; 68.194; 84.734
542.28Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew
An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.
The Journal of organic chemistry, 2015, 80, 9518-9534
1561696 CIFO14 Se4 Zn3P 1 21/c 18.123; 9.139; 7.938
90; 112.838; 90
543.1Liu, Yunsheng; Mei, Dajiang; Xu, Jingli; Wu, Yuandong
Hydrothermal synthesis, structures and optical properties of A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0)
Journal of Solid State Chemistry, 2015, 232, 193-199
4123586 CIFC6 H12 N3 PR 3 m :H9.4937; 9.4937; 6.9591
90; 90; 120
543.194Britvin, Sergey N.; Lotnyk, Andriy
Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.
Journal of the American Chemical Society, 2015, 137, 5526-5535
1518656 CIFC13 H10 N4 OP -16.9373; 8.2261; 9.7516
85.814; 78.171; 89.197
543.22Pawar, Amit B.; Chang, Sukbok
Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent.
Organic letters, 2015, 17, 660-663
7032848 CIFC14 H16 N8 O10 Pb2P -17.6846; 8.025; 10.1201
102.495; 99.181; 112.272
543.33Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 268-280
7218935 CIFC3 H2 Cu N7P 1 21/c 18.63; 9.867; 6.736
90; 108.297; 90
544.6Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli
Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance
Green Chem., 2015, 17, 831-836

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