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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1546733	CIF	Ag Al	R -3 m	2.97545; 2.97545; 26.88393 90; 90; 120	206.124	Zhang, Zezhong; Bourgeois, Laure; Rosalie, Julian M.; Medhekar, Nikhil V. The bi-layered precipitate phase ζ in the Al-Ag alloy system Acta Materialia, 2017, 132, 525
2311372	CIF Paper	Ag Al As2 H2 O8	C 1 2/c 1	7.842; 9.937; 8.686 90; 108.45; 90	642.1	Schwendtner, Karolina; Kolitsch, Uwe New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag). Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 785-790
2311373	CIF	Ag As2 Ga H2 O8	C 1 2/c 1	7.826; 10.216; 8.694 90; 107.77; 90	661.9	Schwendtner, Karolina; Kolitsch, Uwe New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag). Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 785-790
2311374	CIF	Ag As2 Ga O7	P 1 21/c 1	7.049; 8.368; 9.735 90; 108.47; 90	544.7	Schwendtner, Karolina; Kolitsch, Uwe New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag). Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 785-790
4131244	CIF	Ag Bi Br6 Cs2	F m -3 m	11.2322; 11.2322; 11.2322 90; 90; 90	1417.08	Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption. Journal of the American Chemical Society, 2017, 139, 5015-5018
1545073	CIF	Ag Ca O4 V	P n m a	7.03255; 5.86684; 9.3856 90; 90; 90	387.239	PANalytical AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer Aeris Research Edition, 2017, 1, 1-2
1546186	CIF	Ag Cl6 Cs2 In	F m -3 m	10.469; 10.469; 10.469 90; 90; 90	1147	Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M. Designing Indirect-Direct Bandgap Transitions in Double Perovskites Mater. Horiz., 2017
1546185	CIF	Ag Cl6 Cs2 Sb	F m -3 m	10.664; 10.664; 10.664 90; 90; 90	1213	Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M. Designing Indirect-Direct Bandgap Transitions in Double Perovskites Mater. Horiz., 2017
7044476	CIF	Ag F2	P b c n	5.476; 8.331; 5.787 90; 90; 90	264	Grzelak, A.; Gawraczyński, J.; Jaroń, T.; Kurzydłowski, D.; Mazej, Z.; Leszczyński, P. J.; Prakapenka, V. B.; Derzsi, M.; Struzhkin, V. V.; Grochala, W. Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2 Dalton Trans., 2017
2311946	CIF Paper	Ag K7 O16 W4	P 63 m c	12.4912; 12.4912; 7.4526 90; 90; 120	1007.04	Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G. Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W). Acta crystallographica. Section C, Structural chemistry, 2017, 73, 1071-1077
1560586	CIF	Ag0.22 Ba0.18 S1.33 Sn0.36 Sr0.32	I -4 3 d	14.5142; 14.5142; 14.5142 90; 90; 90	3057.59	Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4 Journal of Solid State Chemistry, 2017, 248, 119-125
1560585	CIF	Ag0.22 Ba0.26 S1.33 Sn0.36 Sr0.23	I -4 3 d	14.5646; 14.5646; 14.5646 90; 90; 90	3089.55	Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4 Journal of Solid State Chemistry, 2017, 248, 119-125
1560584	CIF	Ag0.22 Ba0.34 S1.33 Sn0.36 Sr0.16	I -4 3 d	14.6346; 14.6346; 14.6346 90; 90; 90	3134.31	Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4 Journal of Solid State Chemistry, 2017, 248, 119-125
1560583	CIF	Ag0.22 Ba0.5 S1.33 Sn0.36	I -4 3 d	14.7432; 14.7432; 14.7432 90; 90; 90	3204.61	Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4 Journal of Solid State Chemistry, 2017, 248, 119-125
1560587	CIF	Ag0.22 S1.33 Sn0.36 Sr0.5	I -4 3 d	14.3637; 14.3637; 14.3637 90; 90; 90	2963.46	Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4 Journal of Solid State Chemistry, 2017, 248, 119-125
1547850	CIF	Ag0.41 Nb0.59 O1.68	F m -3 m	5.286; 5.286; 5.286 90; 90; 90	147.7	Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C. Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate Journal of the Ceramic Society of Japan, 2017, 125, 776-778
1547849	CIF	Ag0.93 H1.88 O3.91 Ta	F d -3 m	10.45; 10.45; 10.45 90; 90; 90	1141.17	Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C. Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate Journal of the Ceramic Society of Japan, 2017, 125, 776-778
2311947	CIF Paper	Ag1.32 K6.68 Mo4 O16	P 63 m c	12.4188; 12.4188; 7.4338 90; 90; 120	992.89	Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G. Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W). Acta crystallographica. Section C, Structural chemistry, 2017, 73, 1071-1077
4002869	CIF	Ag11.86 Se7 Tl2	P -3	18.9153; 18.9153; 4.3783 90; 90; 120	1356.6	Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity Chemistry of Materials, 2017, 29, 9565
1560256	CIF	Ag2 Nd S3 Tl	P n m a	13.8141; 4.1649; 11.4008 90; 90; 90	655.94	Abdeljalil Assoud; Yixuan Shi; Quansheng Guo; Holger Kleinke Crystal and electronic structure of the new quaternary sulfides TlLnAg2S3 (Ln = Nd, Sm and Gd) Journal of Solid State Chemistry, 2017, 256, 6-9
4344996	CIF	Ag3 Bi P2 S8	P 1 21/c 1	6.715; 20.426; 10.767 90; 120.08; 90	1277.9	Fan, Yu-Hang; Zeng, Hui-Yi; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong; Huang, Jin-Shun Thiophosphates Containing Ag+ and Lone-Pair Cations with Interchiral Double Helix Show Both Ionic Conductivity and Phase Transition Inorganic Chemistry, 2017
1546881	CIF	Ag3 I3 Mo2 O12	P n a 21	8.0072; 21.2678; 7.3241 90; 90; 90	1247.26	Meng, Chang-Yu; Zhang, Pei; Wang, Rong-Fang; Geng, Lei Ag <sub>3</sub> I[(MoO <sub>3</sub> ) <sub>2</sub> (IO <sub>3</sub> ) <sub>2</sub> ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag <sup>+</sup> ) and anion (I <sup>−</sup> ) Dalton Transactions, 2017, 46, 12320-12327
4345403	CIF	Ag4 Bi3 I13 O36	R 3 c :H	21.95; 21.95; 13.442 90; 90; 120	5608.72	Belokoneva, Elena L.; Stefanovich, Sergey Yu; Dimitrova, Olga V.; Karamysheva, Alina S.; Volkov, Anatoly S. Iodide-Iodates M3[IO3]12·Ag4I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response. Inorganic chemistry, 2017, 56, 1186-1192
4002711	CIF	Ag5 Eu In	P n m a	9.12; 5.6453; 11.437 90; 90; 90	588.8	Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials Chemistry of Materials, 2017
4349711	CIF	Ag6 Ba6 In2 Te12	C m c 21	4.5669; 27.9366; 13.3819 90; 90; 90	1707.31	Lee, M.-Y.; Bilc, D. I.; Symeou, E.; Lin, Y.-C.; Liang, I.-C.; Kyratsi, T.; Hsu, K.-F. Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6 Inorganic Chemistry Frontiers, 2017, 4, 1458
4002837	CIF	Ag6 Ge10 P12	I -4 3 m	10.2959; 10.2959; 10.2959 90; 90; 90	1091.4	Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials, 2017, 29, 6956
4002838	CIF	Ag6 Ge10 P12	I -4 3 m	10.32; 10.32; 10.32 90; 90; 90	1099.1	Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials, 2017, 29, 6956
4002839	CIF	Ag6 Ge10 P12	I -4 3 m	10.3111; 10.3111; 10.3111 90; 90; 90	1096.26	Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials, 2017, 29, 6956
4002840	CIF	Ag6 Ge10 P12	I -4 3 m	10.3004; 10.3004; 10.3004 90; 90; 90	1092.9	Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials, 2017, 29, 6956
2242221	CIF HKL Paper	Ag6.62 Co6.56 Fe5.44 O48 P12	C 1 2/c 1	11.868; 12.5514; 6.4386 90; 114.012; 90	876.09	Bouraima, Adam; Makani, Thomas; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag~1.655~Co~1.64~Fe~1.36~(PO~4~)~3~ Acta Crystallographica Section E, 2017, 73, 890-892
4344998	CIF	Ag7 P3 Pb S12	P 1 21/c 1	10.74; 9.899; 21.078 90; 118.678; 90	1966	Fan, Yu-Hang; Zeng, Hui-Yi; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong; Huang, Jin-Shun Thiophosphates Containing Ag+ and Lone-Pair Cations with Interchiral Double Helix Show Both Ionic Conductivity and Phase Transition Inorganic Chemistry, 2017
4344997	CIF	Ag7 P3 S12 Sn	P 1 21/c 1	10.59; 10.206; 21.165 90; 119.873; 90	1983.6	Fan, Yu-Hang; Zeng, Hui-Yi; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong; Huang, Jin-Shun Thiophosphates Containing Ag+ and Lone-Pair Cations with Interchiral Double Helix Show Both Ionic Conductivity and Phase Transition Inorganic Chemistry, 2017
1566253	CIF	Al As0.617 H24 O37.5 P2.383 Pb U5	P -1	9.0296; 10.9557; 15.8249 89.585; 85.349; 84.251	1552.5	Plášil, Jakub A novel sheet topology in the structure of kamitugaite, PbAl [(UO2)5 (PO4)2.38 (AsO4)0.62 O2 (OH)2] (H2O)11.5 Journal of Geosciences, 2017, 62, 253-260
2311886	CIF Paper	Al As3 H4 O11	P n m a	4.869; 11.071; 15.807 90; 90; 90	852.1	Schwendtner, Karolina; Kolitsch, Uwe M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 600-608
1560553	CIF	Al As4 Eu2.9 Na3.1	P 63 m c	9.5621; 9.5621; 7.4418 90; 90; 120	589.27	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
7227257	CIF	Al Ca Gd O4	I 4/m m m	3.6632; 3.6632; 11.998 90; 90; 90	161	Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties CrystEngComm, 2017, 19, 537
1560556	CIF	Al Ca2.6 Na3.4 Sb4	P 63 m c	10.0121; 10.0121; 7.6045 90; 90; 120	660.16	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
1560546	CIF	Al Ca3 Na3 P4	P 63 m c	9.1655; 9.1655; 7.0266 90; 90; 120	511.2	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
3500067	CIF HKL	Al Cl3 H12 O6	R -3 c	11.8359; 11.8359; 11.8492 90; 90; 120	1437.55	Maris, Thierry Personal communication to COD, 2017
2311411	CIF Paper	Al Cl4 Li	P m n 21	7.8273; 6.4466; 6.1304 90; 90; 90	309.34	Prömper, Stephan W; Frank, Walter Lithium tetra-chlorido-aluminate, LiAlCl<sub>4</sub>: a new polymorph (<i>oP</i>12, <i>Pmn</i>2<sub>1</sub>) with Li<sup>+</sup> in tetra-hedral inter-stices. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1426-1429
1560557	CIF	Al Eu2.58 Na3.42 Sb4	P 63 m c	10.1272; 10.1272; 7.8453 90; 90; 120	696.82	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
1560549	CIF	Al Eu2.88 Na3.12 P4	P 63 m c	9.3222; 9.3222; 7.288 90; 90; 120	548.5	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
7119629	CIF	Al H2 N11 O P6	P 1 21/m 1	4.7566; 8.3266; 10.6298 90; 101.601; 90	412.41	Neudert, Lukas; Heinke, Frank; Bräuniger, Thomas; Pucher, Florian J.; Vaughan, Gavin B.; Oeckler, Oliver; Schnick, Wolfgang An unusual nitride network of aluminum-centered octahedra and phosphorus-centered tetrahedra and structure determination from microcrystalline samples. Chemical communications (Cambridge, England), 2017, 53, 2709-2712
4002866	CIF	Al Mo6 Na9 O24	C 1 2/c 1	15.4067; 14.6428; 10.625 90; 93.991; 90	2391.16	Savina, Aleksandra A.; Morozov, Vladimir A.; Buzlukov, Anton L.; Arapova, Irina Yu.; Stefanovich, Sergey Yu.; Baklanova, Yana V.; Denisova, Tatiana A.; Medvedeva, Nadezhda I.; Bardet, Michel; Hadermann, Joke; Lazoryak, Bogdan I.; Khaikina, Elena G. New Solid Electrolyte Na9Al(MoO4)6: Structure and Na+ Ion Conductivity Chemistry of Materials, 2017, 29, 8901
1560559	CIF	Al Na3.18 Sb4 Sr2.83	P 63 m c	10.1587; 10.1587; 7.9509 90; 90; 120	710.6	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
4003332	CIF	Al O4 P0.95 Si0.05	P -3 1 c	13.15497; 13.15497; 30.5833 90; 90; 120	4583.47	Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A. STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging Chemistry of Materials, 2017, 29, 2180
7043540	CIF	Al0.17 Ge3 Ho	C m m m	3.9484; 20.541; 4.0871 90; 90; 90	331.48	Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017
7043539	CIF	Al0.21 Dy Ge3	C m m m	3.9608; 20.577; 4.1055 90; 90; 90	334.6	Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017
7043537	CIF	Al0.22 Ge3 Tb	C m m m	3.9727; 20.653; 4.1233 90; 90; 90	338.3	Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017
9017144	CIF	Al0.235 Fe1.765 O3	P n a 21	5.0647; 8.7131; 9.3842 90; 90; 90	414.118	Xu, H.; Lee, S.; Xu, H. Luogufengite: A new nano-mineral of Fe2O3 polymorph with giant coercive field American Mineralogist, 2017, 102, 711-719
7043535	CIF	Al0.26 Gd Ge3	C m m m	4.0031; 20.739; 4.1624 90; 90; 90	345.56	Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017
7043541	CIF	Al0.28 Ge3 Sm	C m m m	4.04; 20.88; 4.21 90; 90; 90	355.1	Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017
7043536	CIF	Al0.38 Ge3 Nd	C m m m	4.074; 21.019; 4.261 90; 90; 90	364.9	Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017
1547868	CIF	Al0.4 Ca O2.8 Si0.6	C 1 2/c 1	9.036; 5.18766; 21.6291 90; 97.9987; 90	1004	Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S. Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.4Si0.6O2.8 phase Physics and Chemistry of Minerals, 2017, 44, 717-733
4345080	CIF	Al0.425 Au3.575 Na2	P 41 3 2	7.7552; 7.7552; 7.7552 90; 90; 90	466.42	Stegemann, Frank; Benndorf, Christopher; Zhang, Yuemei; Bartsch, Manfred; Zacharias, Helmut; Fokwa, Boniface P. T.; Eckert, Hellmut; Janka, Oliver Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride. Inorganic chemistry, 2017, 56, 1919-1931
2311931	CIF Paper	Al0.46 As3 Ca0.77 Na Ni2.54 O12	I m m a	10.419; 13.496; 6.669 90; 90; 90	937.8	Ben Smail, Ridha; Zid, Mohamed Faouzi An arsenate with the α-CrPO<sub>4</sub> structure type, NaCa<sub>1-x</sub>Ni<sub>3-2x</sub>Al<sub>2x</sub>(AsO<sub>4</sub>)<sub>3</sub> (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 896-904
1547869	CIF	Al0.5 Ca O2.75 Si0.5	C 1 2 1	9.1372; 5.22418; 17.5119 90; 100.011; 90	823.19	Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S. Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.5Si0.5O2.75 phase model1 Physics and Chemistry of Minerals, 2017, 44, 717-733
7043538	CIF	Al0.63 Ge6 Nd2	C m c e	8.5058; 8.1356; 20.999 90; 90; 90	1453.1	Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017
2242241	CIF HKL Paper	Al0.75 As2 Cr0.25 K O7	P -1	6.243; 6.349; 8.153 96.57; 104.45; 103.08	299.8	Bouhassine, Mohamad Alem; Boughzala, Habib New mixed aluminium‒chromium diarsenate Acta Crystallographica Section E, 2017, 73, 345-348
7229761	CIF	Al1.5 Ca3 Ga1.5 O14 Si2 Ta	P 3 2 1	8.0801; 8.0801; 4.9553 90; 90; 120	280.18	Fu, Xiuwei; Víllora, Encarnación G.; Matsushita, Yoshitaka; Kitanaka, Yuuki; Noguchi, Yuji; Miyayama, Masaru; Shimamura, Kiyoshi; Ohashi, Naoki Resistivity and piezoelectric properties of Ca3TaGa1.5Al1.5Si2O14 single crystals for high temperature sensors RSC Advances, 2017, 7, 56697
4345081	CIF	Al1.54 Au2.46 Na2	P 41 3 2	7.7133; 7.7133; 7.7133 90; 90; 90	458.9	Stegemann, Frank; Benndorf, Christopher; Zhang, Yuemei; Bartsch, Manfred; Zacharias, Helmut; Fokwa, Boniface P. T.; Eckert, Hellmut; Janka, Oliver Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride. Inorganic chemistry, 2017, 56, 1919-1931
1548777	CIF	Al11.74 Co4.26 Dy3	P 63/m m c	8.638; 8.638; 9.262 90; 90; 120	598.5	Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type Mendeley, 2017, 1, 1-2
1548778	CIF	Al11.8 Co4.2 Er3	P 63/m m c	8.63; 8.63; 9.244 90; 90; 120	596.23	Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type Mendeley, 2017, 1, 1-2
1548780	CIF	Al11.86 Co4.14 Tb3	P 63/m m c	8.661; 8.661; 9.282 90; 90; 120	602.99	Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type Mendeley, 2017, 1, 1-2
1548779	CIF	Al11.89 Co4.11 Ho3	P 63/m m c	8.638; 8.638; 9.262 90; 90; 120	598.5	Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type Mendeley, 2017, 1, 1-2
1566260	CIF	Al12 Ca19 Mg O78 Si17.83	P 4/n :2	15.5362; 15.5362; 11.796 90; 90; 90	2847.24	Taras L. Panikorovskii; Vladimir V. Shilovskikh; Evgenia Yu. Avdontseva; Andrey A. Zolotarev; Vladimir Yu. Karpenko; Anton S. Mazur; Victor N. Yakovenchuk; Ayya V. Bazai; Sergey V. Krivovichev; Igor V. Pekov Magnesiovesuvianite, Ca19Mg(Al,Mg)12Si18O69(OH)9, a new vesuvianite-group mineral Journal of GeoSciences, 2017, 62, 25-36
4514310	CIF	Al16 Ba8 Si30	P m -3 n	10.5888; 10.5888; 10.5888 90; 90; 90	1187.24	Zhao, Ran; Bobev, Svilen; Krishna, Lakshmi; Yang, Ting; Weller, J. Mark; Jing, Hangkun; Chan, Candace K. Anodes for Lithium-Ion Batteries Based on Type I Silicon Clathrate Ba8Al16Si30 - Role of Processing on Surface Properties and Electrochemical Behavior. ACS applied materials & interfaces, 2017, 9, 41246-41257
3000108	CIF	Al2 B2 K2 O7	P 3 2 1	8.555; 8.555; 8.443 90; 90; 120	535.14	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000109	CIF	Al2 B2 K2 O7	P 3 2 1	8.5592; 8.5592; 8.4485 90; 90; 120	536.01	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000110	CIF	Al2 B2 K2 O7	P 3 2 1	8.5852; 8.5852; 8.4855 90; 90; 120	541.64	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000111	CIF	Al2 B2 K2 O7	P 3 2 1	8.5683; 8.5683; 8.4633 90; 90; 120	538.1	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000112	CIF	Al2 B2 K2 O7	P 3 2 1	8.5843; 8.5843; 8.486 90; 90; 120	541.56	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000113	CIF	Al2 B2 K2 O7	P 3 2 1	8.5987; 8.5987; 8.5052 90; 90; 120	544.6	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
4002742	CIF	Al2 Ca1.55 Sb6 Yb3.45	P b a m	12.0006; 13.9925; 4.4457 90; 90; 90	746.51	Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials, 2017, 29, 1384
4002744	CIF	Al2 Ca1.58 Sb6 Yb3.42	P b a m	7.3254; 22.9041; 4.4094 90; 90; 90	739.82	Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials, 2017, 29, 1384
4002743	CIF	Al2 Ca2.79 Sb6 Yb2.22	P b a m	12.0321; 14.023; 4.4532 90; 90; 90	751.37	Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials, 2017, 29, 1384
4002741	CIF	Al2 Ca3.6 Sb6 Yb1.4	P b a m	11.962; 13.929; 4.427 90; 90; 90	737.6	Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials, 2017, 29, 1384
7227916	CIF	Al2 Cd O4	R -3 :H	14.221; 14.221; 9.5733 90; 90; 120	1676.69	Ran, Weiguang; Wang, Lili; Liu, Qingzhi; Liu, Guangzeng; Qu, Dan; Pan, Xiaohua; Shi, Jinsheng Mn2+ doped CdAl2O4 phosphors with new structure and special fluorescence properties: experimental and theoretical analysis RSC Adv., 2017, 7, 17612
1548349	CIF	Al2 Co1.13 H11.223 O20 P4	P 1 21/n 1	8.4589; 16.5069; 5.0726 90; 90.086; 90	708.29	Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science, 2017, 355, 166-169
1548350	CIF	Al2 Co1.224 H10.954 O20 P4	P 1 21/n 1	8.395; 16.3; 5.033 90; 90.44; 90	688.7	Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science, 2017, 355, 166-169
1566256	CIF	Al2 H20 O27 P2 U3	P 1 21/n 1	9.428; 20.8445; 13.4207 90; 107.962; 90	2508.92	Fabrice Dal Bo; Frederic Hatert; Simon Philippo New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9 Journal of GeoSciences, 2017, 62, 87-95
1566257	CIF	Al2 H20 O27 P2 U3	P 1 21/n 1	9.4417; 20.8596; 13.4326 90; 107.905; 90	2517.42	Fabrice Dal Bo; Frederic Hatert; Simon Philippo New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9 Journal of GeoSciences, 2017, 62, 87-95
1566258	CIF	Al2 H20 O27 P2 U3	P 1 21/n 1	9.4423; 20.8723; 13.4307 90; 107.862; 90	2519.4	Fabrice Dal Bo; Frederic Hatert; Simon Philippo New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9 Journal of GeoSciences, 2017, 62, 87-95
1566259	CIF	Al2 H20 O27 P2 U3	P 1 21/n 1	9.4467; 20.9023; 13.4396 90; 107.944; 90	2524.67	Fabrice Dal Bo; Frederic Hatert; Simon Philippo New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9 Journal of GeoSciences, 2017, 62, 87-95
4345748	CIF	Al2 Li6 O22 Te8	C 1 2/c 1	18.9467; 5.134; 10.6284 90; 109.632; 90	973.75	Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Lee, Suheon; Choi, Kwang-Yong; Yu, Yang; Ok, Kang Min Syntheses, Structures, and Characterization of Quaternary Tellurites, Li3MTe4O11 (M = Al, Ga, and Fe). Inorganic chemistry, 2017, 56, 5873-5879
2108142	CIF Paper	Al2 Mg3 O12 Si3	I a -3 d	11.4405; 11.4405; 11.4405 90; 90; 90	1497.39	Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other Acta Crystallographica Section B, 2017, 73, 722-736
4002834	CIF	Al2 Na2.28 O8 Si2	F -4 3 m	7.332028; 7.332028; 7.332028 90; 90; 90	394.16	Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials, 2017, 29, 6552-6559
1546943	CIF	Al2 O5 Ti	B b m m	9.4359; 9.6425; 3.593 90; 90; 90	326.91	Ohta, Y.; Kawauchi, Y.; Ban, T. Cation distribution of pseudobrookite-type titanates and their phase stability Journal of the Ceramic Society of Japan, 2017, 125, 695-700
7041573	CIF	Al2.72 Lu10 Ni1.28	P 63/m m c	9.2985; 9.2985; 9.2702 90; 90; 120	694.14	Benndorf, Christopher; Eckert, Hellmut; Janka, Oliver Ternary rare-earth aluminium intermetallics RE10TAl3 (RE = Y, Ho, Tm, Lu; T = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) with an ordered anti-Co2Al5 structure. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1083-1092
1544263	CIF	Al20 Er V2	F d -3 m :2	14.5175; 14.5175; 14.5175 90; 90; 90	3059.68	Winiarski, M.J.; Klimczuk, T. Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound Journal of Solid State Chemistry, 2017, 245, 10-16
2311792	CIF	Al3 Cu6 O30 S Sb	P -1	7.766; 8.759; 11.306 108.67; 83.41; 126.64	581.7	Mills, Stuart J.; Christy, Andrew G.; Favreau, Georges; Galea-Clolus, Valérie Multidimensional structural variation in the cyanotrichite family of merotypes: camerolaite-3b-Fβar 1. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 950-955
4002829	CIF	Al3 Na3 O12 Si3	P 32	5.108967; 5.108967; 12.48752 90; 90; 120	282.275	Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials, 2017, 29, 6552
7041572	CIF	Al3 Ru Y10	P 63/m m c	9.5888; 9.5888; 9.5942 90; 90; 120	763.96	Benndorf, Christopher; Eckert, Hellmut; Janka, Oliver Ternary rare-earth aluminium intermetallics RE10TAl3 (RE = Y, Ho, Tm, Lu; T = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) with an ordered anti-Co2Al5 structure. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1083-1092
1560698	CIF	Al4 B14 Ba6 O33	P -1	7.007; 13.88; 14.702 86.48; 88.99; 83.46	1417.8	Chen, Xuean; Yue, Jianying; Chang, Xinan; Xiao, Weiqiang Synthesis and characterization of a new borate Ba 6 Al 4 B 14 O 33 with building blocks of AlO 4 , Al 4 O 14 , BO 3 , B 6 O 14 , and B 6 O 13 Journal of Solid State Chemistry, 2017, 245, 174-183
1560434	CIF	Al4 B2 Ba5 N52 Si32	P 1	9.7879; 9.792; 12.7226 96.074; 112.33; 94.08	1113.4	Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto Synthesis and crystal structure of a new aluminum-silicon-nitride phosphor containing boron, Ba 5 B 2 Al 4 Si 32 N 52 :Eu Journal of Solid State Chemistry, 2017, 251, 43-49
1560526	CIF	Al4 B2 O9	C 1 2/m 1	14.813; 5.5418; 15.0593 90; 90.93; 90	1236.07	Zhao, Haishuang; Krysiak, Yaşar; Hoffmann, Kristin; Barton, Bastian; Molina-Luna, Leopoldo; Neder, Reinhard B.; Kleebe, Hans-Joachim; Gesing, Thorsten M.; Schneider, Hartmut; Fischer, Reinhard X.; Kolb, Ute Elucidating structural order and disorder phenomena in mullite-type Al 4 B 2 O 9 by automated electron diffraction tomography Journal of Solid State Chemistry, 2017, 249, 114-123
7228729	CIF	Al4 Co2.323 H24 O40 P8	P 1 21/n 1	8.402; 16.569; 5.108 90; 90; 90	711.1	Zaarour, Moussa; perez, olivier; Boullay, Philippe; Martens, Joern; Mihailova, Boriana D.; Karaghiosoff, Konstantin; Palatinus, Lukáš; Mintova, Svetlana Synthesis of New Framework Cobalt Aluminophosphate by Opening Cobalt Methylphosphonate Layered Material CrystEngComm, 2017
2020747	CIF HKL	Al4 Li9 Sn5	P -3 m 1	4.717; 4.717; 17.077 90; 90; 120	329.06	Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type Acta Crystallographica Section C, 2017, 73
4002835	CIF	Al4 Na3.49 O16 Si4	P 63	9.9762; 9.9762; 8.34957 90; 90; 120	719.66	Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials, 2017, 29, 6552-6559
2108043	CIF	Al4.8 O9.6 Si1.2	B b 21 m	75.817; 7.6752; 5.7686 90; 90; 90	3356.8	Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73
2108042	CIF HKL	Al4.847 O9.577 Si1.153	P b a m	7.5817; 7.6752; 2.8843 90; 90; 90	167.84	Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73
1545417	CIF	Al56 H300 Na56 O534 Si136	F d -3 m :2	24.6792; 24.6792; 24.6792 90; 90; 90	15031.2	Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755
1545186	CIF	Al56 H600 Na56 O684 Si136	F d -3 m :2	24.664; 24.664; 24.664 90; 90; 90	15003.4	Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755
1545416	CIF	Al56 H600 Na56 O684 Si136	F d -3 m :2	24.6654; 24.6654; 24.6654 90; 90; 90	15006	Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755
1545415	CIF	Al56 Na56 O384 Si136	F d -3 m :2	24.7765; 24.7765; 24.7765 90; 90; 90	15209.7	Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755
1545673	CIF	Al6 O16 S Sr4	P c c 2	13.3231; 13.3242; 9.37918 90; 90; 90	1664.99	Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K. Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 298 K Journal of the Ceramic Society of Japan, 2017, 125, 364-370
1545674	CIF	Al6 O16 S Sr4	I 2 3	9.42561; 9.42561; 9.42561 90; 90; 90	837.391	Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K. Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 573 K Journal of the Ceramic Society of Japan, 2017, 125, 364-370
7228848	CIF	As Ba Cs S4	P n m a	11.9066; 6.9184; 10.0338 90; 90; 90	826.53	Jiang, Jianqiao; Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4 RSC Adv., 2017, 7, 38044
2311440	CIF Paper	As H2 Na O4	P 1 21/c 1	7.0528; 13.798; 7.4792 90; 93.02; 90	726.8	Ring, Joseph; Lindenthal, Lorenz; Weil, Matthias; Stöger, Berthold Crystal structure of sodium di-hydrogen arsenate. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1520-1522
2311525	CIF Paper	As2 Ba Mn2 O8	P -1	5.7981; 7.0938; 9.817 109.75; 100.42; 98.4	364.28	Alcantar, Salvador; Ledbetter, Hollis R.; Ranmohotti, Kulugammana G. S. Crystal structure of BaMn<sub>2</sub>(AsO<sub>4</sub>)<sub>2</sub> containing discrete [Mn<sub>4</sub>O<sub>18</sub>]<sup>28-</sup> units. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1855-1860
1566254	CIF	As2 Co0 Cu2.92 H16 O16 Zn0	C 1 2/m 1	10.1729; 13.5088; 4.7496 90; 105.399; 90	629.28	Jakub Plasil; Pavel Skacha; Jiri Sejkora; Radek Skoda; Milan Novak; Frantisek Veselovsky; Jan Hlousek Babanekite, Cu3(AsO4)2 . 8H2O, from Jachymov, Czech Republic - a new member of the vivianite group Journal of GeoSciences, 2017, 62, 261-270
2311447	CIF	As2 Cs H2 In O8	R -3 c :H	8.629; 8.629; 56.986 90; 90; 120	3674.7	Schwendtner, Karolina; Kolitsch, Uwe <i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1580-1586
2311375	CIF	As2 Ga Na O7	P 1 21/c 1	6.987; 8.266; 9.677 90; 107.5; 90	533	Schwendtner, Karolina; Kolitsch, Uwe New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag). Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 785-790
2311445	CIF Paper	As2 H2 In K O8	C 1 2/c 1	8.34; 10.657; 9.197 90; 109.37; 90	771.2	Schwendtner, Karolina; Kolitsch, Uwe <i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1580-1586
2311446	CIF	As2 H2 In O8 Rb	R -3 c :H	8.512; 8.512; 56.434 90; 90; 120	3541.1	Schwendtner, Karolina; Kolitsch, Uwe <i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1580-1586
2242270	CIF HKL Paper	As2 In K O7	P -1	7.712; 8.554; 10.461 88.58; 89.82; 73.97	663.1	Schwendtner, Karolina; Kolitsch, Uwe KInAs~2~O~7~, a new diarsenate with the TlInAs~2~O~7~ structure type Acta Crystallographica Section E, 2017, 73, 1294-1297
1560681	CIF	As2 Mn3 O8	P 1 21/n 1	5.4278; 6.8421; 9.1696 90; 96.48; 90	338.36	Weil, Matthias; Kremer, Reinhard K. Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2 Journal of Solid State Chemistry, 2017, 245, 115-126
1560682	CIF	As2 Mn3 O8	P 1 21/c 1	9.1129; 11.7658; 6.4204 90; 98.727; 90	680.43	Weil, Matthias; Kremer, Reinhard K. Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2 Journal of Solid State Chemistry, 2017, 245, 115-126
1560686	CIF	As3 Cl Mn5 O12	P 63/m	9.8823; 9.8823; 6.2222 90; 90; 120	526.25	Weil, Matthias; Kremer, Reinhard K. Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2 Journal of Solid State Chemistry, 2017, 245, 115-126
2242050	CIF HKL Paper	As3 Fe2 K1.25 Ni0.88 O12	I b m m	6.737; 10.773; 13.574 90; 90; 90	985.2	Ben Smail, Ridha; Zid, Mohamed Faouzi K~1+2<i>x~</i>Ni~1{-~<i>x</i>}Fe~2~(AsO~4~)~3~ (<i>x</i> = 0,125): un nouvel arséniate à structure de type α-CrPO~4~ Acta Crystallographica Section E, 2017, 73, 239-245
2311887	CIF Paper	As3 Ga H4 O11	P n m a	4.916; 11.213; 15.853 90; 90; 90	873.9	Schwendtner, Karolina; Kolitsch, Uwe M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 600-608
1560552	CIF	As4 Ca2.85 Ga Na3.15	P 63 m c	9.4069; 9.4069; 7.2039 90; 90; 120	552.07	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
1560683	CIF	As4 Cl2 Mn7 O16	P b c a	8.2315; 8.5673; 22.5625 90; 90; 90	1591.15	Weil, Matthias; Kremer, Reinhard K. Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2 Journal of Solid State Chemistry, 2017, 245, 115-126
4345188	CIF	As4 Co3 Na18 O154 W30	P 1 21/c 1	17.0622; 15.0828; 32.0872 90; 91.17; 90	8255.8	Ayingone Mezui, Charyle S.; de Oliveira, Pedro; Teillout, Anne-Lucie; Marrot, Jérôme; Berthet, Patrick; Lebrini, Mounim; Mbomekallé, Israël M Synthesis, Structure, and Magnetic Electrochemical Properties of a Family of Tungstoarsenates Containing Just Co(II) Centers or Both Co(II) and Fe(III) Centers. Inorganic chemistry, 2017, 56, 1999-2012
4345355	CIF	As4 Co4 Na16 O169 W30	P -1	13.6137; 13.8836; 22.9276 89.906; 78.356; 61.451	3705.5	Ayingone Mezui, Charyle S.; de Oliveira, Pedro; Teillout, Anne-Lucie; Marrot, Jérôme; Berthet, Patrick; Lebrini, Mounim; Mbomekallé, Israël M Synthesis, Structure, and Magnetic Electrochemical Properties of a Family of Tungstoarsenates Containing Just Co(II) Centers or Both Co(II) and Fe(III) Centers. Inorganic chemistry, 2017, 56, 1999-2012
1560554	CIF	As4 Eu2.9 Ga Na3.1	P 63 m c	9.5566; 9.5566; 7.4319 90; 90; 120	587.81	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
1560555	CIF	As4 In Na3.34 Sr2.66	P 63 m c	9.7426; 9.7426; 7.605 90; 90; 120	625.1	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb) Journal of Solid State Chemistry, 2017, 249, 160-168
7044725	CIF	As6 Cs15 Dy6 H166 K9 Na12 O281 W54	P -3	23.4503; 23.4503; 14.6472 90; 90; 120	6975.6	Huo, Yu; Chen, Yan-Cong; Liu, Jun-Liang; Jia, Jian-Hua; Chen, Wen-Bin; Wu, Si-Guo; Tong, Mingliang A wheel-shaped Dy(III) single-molecule magnet supported by polyoxotungstates Dalton Transactions, 2017
2311888	CIF Paper	As6 H8 In2 O22	P 1 21/n 1	12.487; 11.529; 12.553 90; 101.4; 90	1771.5	Schwendtner, Karolina; Kolitsch, Uwe M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 600-608
1560685	CIF	As7 Br Mn11 O28	P n m a	8.5719; 32.558; 9.0345 90; 90; 90	2521.4	Weil, Matthias; Kremer, Reinhard K. Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2 Journal of Solid State Chemistry, 2017, 245, 115-126
1560684	CIF	As7 Cl Mn11 O28	P n m a	8.5552; 32.5091; 9.041 90; 90; 90	2514.5	Weil, Matthias; Kremer, Reinhard K. Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2 Journal of Solid State Chemistry, 2017, 245, 115-126
1545302	CIF	Au	P 63/m m c	2.9; 2.9; 4.88 90; 90; 120	35.542	Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F. Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface Scientific Reports, 2017, 7, 42420
4345844	CIF	Au2 Ba S2	I 41/a m d	6.38972; 6.38972; 12.7872 90; 90; 90	522.08	Zhou, Molin; Jiang, Xin; Jiang, Xingxing; Xiao, Ke; Guo, Yangwu; Huang, Hongwei; Lin, Zheshuai; Yao, Jiyong; Tung, Chen-Ho; Wu, Li-Zhu; Wu, Yicheng BaAu2S2: A Au-Based Intrinsic Photocatalyst for High-Performance Visible-Light Photocatalysis. Inorganic chemistry, 2017, 56, 5173-5181
2311895	CIF Paper	Au4 Y3	R -3 :H	13.3664; 13.3664; 5.964 90; 90; 120	922.8	Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 692-696
4002712	CIF	Au5.01 Eu In0.99	I 4/m m m	7.174; 7.174; 5.4425 90; 90; 90	280.11	Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials Chemistry of Materials, 2017
2311896	CIF Paper	Au51 Y14	P 6/m	12.5433; 12.5433; 9.1389 90; 90; 120	1245.2	Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 692-696
7042399	CIF	B Ca Cs O3	P 21 3	7.572; 7.572; 7.572 90; 90; 90	434.1	Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4968-4974
7042398	CIF	B Ca O3 Rb	P 21 3	7.43; 7.43; 7.43 90; 90; 90	410.2	Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4968-4974
7044319	CIF	B Ca O4 Sc	P n m a	10.283; 3.3636; 9.432 90; 90; 90	326.2	Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie ScMO(BO3) (M = Ca, Cd)：New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges Dalton Trans., 2017
7044318	CIF	B Cd O4 Sc	P n m a	9.921; 3.372; 9.469 90; 90; 90	316.8	Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie ScMO(BO3) (M = Ca, Cd)：New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges Dalton Trans., 2017
7041604	CIF	B F K O4 P	C 1 c 1	4.2917; 7.8624; 12.0505 90; 90.44; 90	406.61	Jiang, Ji-Hong; Zhang, Lin-Chuan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao KB(PO4)F: a novel acentric deep-ultraviolet material. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1677-1683
7042270	CIF	B F4 N O	P n m a	8.856; 5.6314; 6.841 90; 90; 90	341.17	Morozov, I. V.; Deeva, E. B.; Glazunova, T. Yu; Troyanov, S. I.; Guseinov, F. I.; Kustov, L. M. Interaction of copper with dinitrogen tetroxide in 1-butyl-3-methylimidazolium-based ionic liquids. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4430-4434
7042303	CIF	B10 Ba4 Br F2 Na O18	P 1 21/n 1	6.7401; 11.4787; 11.5013 90; 91.862; 90	889.4	Mutailipu, Miriding; Zhang, Min; Chen, Yanna; Lu, Xiaoquan; Pan, Shilie The structural diversity of halogen-centered secondary building units: two new mixed-metal borate halides with deep-ultraviolet cut-off edges. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4923-4928
7056282	CIF	B10 Ca3 O23 V2	P -1	6.5251; 11.4616; 12.7135 114.126; 103.656; 90.594	837.09	Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]\ιnfty double layers New J. Chem., 2017
4345449	CIF	B10 H8 Na2 O20	P c a 21	11.0487; 7.8742; 8.9089 90; 90; 90	775.07	Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet. Inorganic chemistry, 2017, 56, 1340-1348
7056283	CIF	B10 O23 Sr3 V2	P -1	6.639; 11.571; 12.998 114.333; 103.334; 90.432	879.3	Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]\ιnfty double layers New J. Chem., 2017
7043232	CIF	B11 Ca2 H7 O22	P 1 21 1	6.51; 20.4228; 6.6513 90; 119.029; 90	773.21	Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters Dalton Trans., 2017
7043162	CIF	B12 Ca H21 N3	R -3 c :H	11.86978; 11.86978; 16.7977 90; 90; 120	2049.58	Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R. Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca) Dalton Trans., 2017
4345774	CIF	B12 Cl12 Na2	P a -3	12.5577; 12.5577; 12.5577 90; 90; 90	1980.3	Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H. Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12). Inorganic chemistry, 2017, 56, 4369-4379
4345775	CIF	B12 Cl12 Na2	P a -3	12.4694; 12.4694; 12.4694 90; 90; 90	1938.82	Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H. Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12). Inorganic chemistry, 2017, 56, 4369-4379
1547889	CIF	B12 Cl2 Nd2 O29	P 1 21/n 1	8.1867; 14.5421; 9.8317 90; 90.281; 90	1170.47	Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang Rare earth separations by selective borate crystallization Nature Communications, 2017, 8, 14438
4349392	CIF	B12 Cs H12 Li	P n 21 a	12.405; 7.237; 12.101 90; 90; 90	1086.4	Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016
4349387	CIF	B12 Cs H12 Na	P 1 21/c 1	7.6227; 12.1866; 12.3024 90; 92.353; 90	1141.87	Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016
4349389	CIF	B12 Cs H12 Na	P n 21 a	12.4432; 7.6628; 12.5705 90; 90; 90	1198.59	Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016
4349390	CIF	B12 Cs H12 Na	P 63 m c	7.6227; 7.6227; 12.280488 90; 90; 120	617.97	Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016
4345773	CIF	B12 F12 H8 Na2 O4	P -1	10.6491; 10.8501; 13.8432 96.813; 96.479; 91.347	1577	Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H. Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12). Inorganic chemistry, 2017, 56, 4369-4379
4349391	CIF	B12 H12 K0.41 Li1.59	P 63 m c	7.0722; 7.0722; 11.9592 90; 90; 120	518.01	Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016
7043163	CIF	B12 H18 N2 Na2	P -3 m 1	7.16723; 7.16723; 7.15737 90; 90; 120	318.41	Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R. Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca) Dalton Trans., 2017
7043165	CIF	B12 H24 Li2 N4	P 1 21/n 1	8.4122; 9.5193; 9.6434 90; 99.472; 90	761.7	Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R. Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca) Dalton Trans., 2017
7043164	CIF	B12 H24 N4 Na2	P 1 21/n 1	8.6875; 9.4168; 9.9096 90; 98.3296; 90	802.14	Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R. Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca) Dalton Trans., 2017
7042302	CIF	B14 Ba7 F5 Mg2 Na O28	C 1 2/c 1	16.6113; 13.6678; 15.1514 90; 121.188; 90	2942.8	Mutailipu, Miriding; Zhang, Min; Chen, Yanna; Lu, Xiaoquan; Pan, Shilie The structural diversity of halogen-centered secondary building units: two new mixed-metal borate halides with deep-ultraviolet cut-off edges. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4923-4928
4126816	CIF	B15 Ba K7 Lu2 O30	R 3 2 :H	12.9705; 12.9705; 15.651 90; 90; 120	2280.3	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126821	CIF	B15 Ba K7 O30 Y2	R 3 2 :H	12.9884; 12.9884; 15.718 90; 90; 120	2296.4	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126813	CIF	B15 Bi2 K7 O30 Pb	R 3 2 :H	13.331; 13.331; 14.91 90; 90; 120	2294.7	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126817	CIF	B15 Bi2 K7 O30 Sr	R 3 2 :H	13.2512; 13.2512; 15.288 90; 90; 120	2324.8	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126820	CIF	B15 Ca Gd2 K7 O30	R 3 2 :H	13.31; 13.31; 15.005 90; 90; 120	2302.1	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126818	CIF	B15 Ca K7 Lu2 O30	R 3 2 :H	13.1433; 13.1433; 14.905 90; 90; 120	2229.8	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126815	CIF	B15 Ca K7 O30 Y2	R 3 2 :H	13.2182; 13.2182; 14.949 90; 90; 120	2262	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126822	CIF	B15 Gd2 K7 O30 Sr	R 3 2 :H	13.148; 13.148; 15.417 90; 90; 120	2308.1	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126819	CIF	B15 Gd2.5 K7.5 O30	R 3 2 :H	13.265; 13.265; 15.282 90; 90; 120	2329	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126811	CIF	B15 K7 Lu2 O30 Sr	R 3 2 :H	13.0208; 13.0208; 15.297 90; 90; 120	2246	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126812	CIF	B15 K7 O30 Sr Y2	R 3 2 :H	13.1142; 13.1142; 15.319 90; 90; 120	2281.6	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126814	CIF	B15 K7.5 O30 Y2.5	R 3 2 :H	13.142; 13.142; 15.099 90; 90; 120	2258.4	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
7227703	CIF	B16 Gd7.5 O48 Sr12 Yb0.5	P n m a	7.3859; 15.9445; 8.7003 90; 90; 90	1024.59	Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4 CrystEngComm, 2017, 19, 1620
7041913	CIF	B16 H6.96 Mn12 O107.02 P24 Rb9.05	P b c n	20.0755; 9.1512; 12.2568 90; 90; 90	2251.8	Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.; Ovchenkov, Evgeny A.; Tsirlin, Alexander A.; Shakin, Alexander A.; Volkova, Olga S.; Vasiliev, Alexander N. Crystal structure and spin-trimer magnetism of Rb2.3(H2O)0.8Mn3[B4P6O24(O,OH)2]. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2957-2965
7043233	CIF	B18 Ba4 H30 O46	P m n 21	10.1679; 16.2316; 7.5544 90; 90; 90	1246.79	Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters Dalton Trans., 2017
2242126	CIF	B18 Ba8.35 O36 Pb0.65	R -3 :H	7.206; 7.206; 18.653 90; 90; 120	838.8	Zhao, Wenwu Crystal structure of the solid solution Ba~8.35~Pb~0.65~(B~3~O~6~)~6~ Acta Crystallographica Section E, 2017, 73, 349-353
7041752	CIF	B18 H6 Li10 O60 V12	P n -3 :2	18.88; 18.88; 18.88 90; 90; 90	6729.9	Liu, Xinxin; Zhang, Dan; Li, He; Li, Lingyun; Yuan, Hongming A new 3-D open-framework Li-rich vanadoborate and its high ionic conductivity after transforming into glasses. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2479-2484
3000098	CIF	B2 Ba O4	R 3 c :H	12.5269; 12.5269; 12.7181 90; 90; 120	1728.38	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000099	CIF	B2 Ba O4	R 3 c :H	12.5517; 12.5517; 12.985 90; 90; 120	1771.6	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000100	CIF	B2 Ba O4	R 3 c :H	12.5806; 12.5806; 12.7947 90; 90; 120	1753.7	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000101	CIF	B2 Ba O4	R 3 c :H	12.5685; 12.5685; 12.7714 90; 90; 120	1747.2	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000102	CIF	B2 Ba O4	R 3 c :H	12.582; 12.582; 12.7519 90; 90; 120	1748.3	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000103	CIF	B2 Ba O4	R 3 c :H	12.5828; 12.5828; 12.7291 90; 90; 120	1745.4	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000104	CIF	B2 Ba O4	R 3 c :H	12.5868; 12.5868; 12.709 90; 90; 120	1743.7	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000105	CIF	B2 Ba O4	R 3 c :H	12.5761; 12.5761; 12.6453 90; 90; 120	1732.02	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000106	CIF	B2 Ba O4	R -3 c :H	7.242; 7.242; 39.25 90; 90; 120	1783	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000107	CIF	B2 Ba O4	R -3 c :H	7.227; 7.227; 39.031 90; 90; 120	1765	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
1547867	CIF	B2 Ca Fe0.369 Mg0.631 O5	P b c a	36.2342; 11.182; 5.5197 90; 90; 90	2236.42	Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I. Kurchatovite from the Fuka mine, Okayama Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2017, 112, 159-165
1546775	CIF	B2 Ca O8 Si2	P n a m	6.8576; 8.1526; 7.7457 90; 90; 90	433.04	Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4
1546776	CIF	B2 Ca O8 Si2	P n a m	6.3537; 7.9518; 8.0112 90; 90; 90	404.75	Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4
1546777	CIF	B2 Ca O8 Si2	P -1	5.479; 5.532; 6.681 91.74; 104.57; 95.59	194.7	Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4
1546882	CIF	B2 Cs Na4 O13 P3	P n a 21	24.5034; 6.7673; 14.7803 90; 90; 90	2450.9	Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response Dalton Transactions, 2017, 46, 12605-12611
2242045	CIF HKL Paper	B2 Ga Li3 O6	P -1	4.8731; 6.2429; 8.013 73.346; 89.701; 89.698	233.54	Smith, Robert W.; Holman, Darien; Villa, Eric M. Crystal structure of Li~3~Ga(BO~3~)~2~ Acta Crystallographica Section E, 2017, 73, 456-458
4002758	CIF	B2 Mg Mn O5	P -1	3.20758; 6.2134; 9.4127 104.623; 90.511; 92.012	181.376	Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E. MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries Chemistry of Materials, 2017, 29, 3118
4002756	CIF	B2 Mg0.66 Mn1.33 O5	P -1	3.23914; 6.2347; 9.4884 104.736; 90.6239; 91.943	185.172	Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E. MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries Chemistry of Materials, 2017, 29, 3118
4002757	CIF	B2 Mg1.33 Mn0.66 O5	P -1	3.18809; 6.2021; 9.36747 104.556; 90.5538; 92.0289	179.131	Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E. MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries Chemistry of Materials, 2017, 29, 3118
1546883	CIF	B2 Na4 O13 P3 Rb	P n a 21	24.0348; 6.7464; 14.9206 90; 90; 90	2419.35	Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response Dalton Transactions, 2017, 46, 12605-12611
2021889	CIF Paper	B2 O5 Sr2	P 1 21/c 1	7.763; 5.3386; 11.875 90; 92.64; 90	491.62	Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021890	CIF Paper	B2 O5 Sr2	P 1 21/c 1	3.882; 5.3386; 11.875 90; 92.64; 90	245.84	Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021891	CIF Paper	B2 O5 Sr2	P -1	9.4662; 13.2754; 11.8671 88.815; 91.651; 91.473	1489.9	Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021892	CIF Paper	B2 O5 Sr2	P -1	3.9001; 5.3685; 11.8671 89.994; 92.008; 90.038	248.32	Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021893	CIF Paper	B2 O5 Sr2	P 1 21/c 1	3.9125; 5.3699; 11.8732 90; 91.849; 90	249.323	Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
7044337	CIF	B20 In Ni21	P m -3 m	7.16607; 7.16607; 7.16607 90; 90; 90	367.996	Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017
7044341	CIF	B20 In Ni21	P m -3 m	7.173; 7.173; 7.173 90; 90; 90	369.065	Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017
7044338	CIF	B20 Ni21 Sn	P m -3 m	7.1834; 7.1834; 7.1834 90; 90; 90	370.672	Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017
7044339	CIF	B20 Ni21 Sn	P m -3 m	7.17585; 7.17585; 7.17585 90; 90; 90	369.505	Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017
7044340	CIF	B20 Ni21 Sn	P m -3 m	7.1834; 7.1834; 7.1834 90; 90; 90	370.672	Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017
4349386	CIF	B24 H24 K2 Na2	F m -3	10.6477; 10.6477; 10.6477 90; 90; 90	1207.17	Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016
4349388	CIF	B24 H24 Na4	F m -3	10.528747; 10.528747; 10.528747 90; 90; 90	1167.16	Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016
1547892	CIF	B24 Lu4 O49	R -3 :H	17.0783; 17.0783; 20.3077 90; 90; 120	5129.6	Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang Rare earth separations by selective borate crystallization Nature Communications, 2017, 8, 14438
7056068	CIF	B3 Be3 F4 Li O9 Sr3	R 3 m :H	10.3062; 10.3062; 8.3458 90; 90; 120	767.7	Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers New J. Chem., 2017
7044059	CIF	B3 Cd5 Cl O9	C 1 m 1	8.172; 16.061; 3.4741 90; 99.294; 90	450	Song, YunXia; Luo, Min; Liang, Fei; Lin, Chensheng; Ye, Ning; Yan, Guiyang; Lin, Zheshuai Experimental and ab Initio Studies of Cd5(BO3)3Cl: the First Cadmium Borate Chlorine with isolated BO3 groups Dalton Trans., 2017
3000114	CIF	B3 Li O5	P n a 21	8.478; 7.398; 5.22 90; 90; 90	327.4	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000115	CIF	B3 Li O5	P n a 21	8.4386; 7.3725; 5.1954 90; 90; 90	323.22	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000116	CIF	B3 Li O5	P n a 21	8.4524; 7.3868; 5.202 90; 90; 90	324.79	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000117	CIF	B3 Li O5	P n a 21	8.4437; 7.377; 5.189 90; 90; 90	323.22	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000118	CIF	B3 Li O5	P n a 21	8.501; 7.4043; 5.211 90; 90; 90	328	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000119	CIF	B3 Li O5	P n a 21	8.446; 7.3749; 5.175 90; 90; 90	322.34	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000120	CIF	B3 Li O5	P n a 21	8.4605; 7.3809; 5.1703 90; 90; 90	322.87	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000121	CIF	B3 Li O5	P n a 21	8.4453; 7.3653; 5.1564 90; 90; 90	320.74	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
3000122	CIF	B3 Li O5	P n a 21	8.5109; 7.4112; 5.173 90; 90; 90	326.29	Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93
1545793	CIF	B30 Nd5 O60 Rb15	R 3 2 :H	13.52363; 13.52363; 31.1617 90; 90; 120	4935.6	V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12 Advanced Powder Technology, 2017, 28, 1309-1315
4345450	CIF	B4 Ba2 H0 O9	P 31 2 1	6.8245; 6.8245; 13.7181 90; 90; 120	553.31	Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet. Inorganic chemistry, 2017, 56, 1340-1348
1546778	CIF	B4 Ca2 O16 Si4	P 1 21/c 1	7.9989; 7.8697; 6.249 90; 89.75; 90	393.4	Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4
1547888	CIF	B4 Cl La O8	C 1 c 1	6.5268; 11.251; 9.814 90; 105.271; 90	695.2	Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang Rare earth separations by selective borate crystallization Nature Communications, 2017, 8, 14438
7228083	CIF	B4 H11.25 K2 O12.63	P b c n	11.15; 13.064; 16.411 90; 90; 90	2390.5	Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates CrystEngComm, 2017
7044477	CIF	B4 H15 N3 O10 Zn	C 1 c 1	12.215; 7.845; 12.172 90; 107.323; 90	1113.5	Imer, Marcos Ramón; González, Mariana Estefani; Veiga, Nicolás; Kremer, Carlos; Suescun, Leopoldo; Arizaga, Livia Synthesis, structural characterization and scalable preparation of new amino-zinc borates. Dalton Trans., 2017
7044478	CIF	B4 H24 N4 O13 Zn	P b c a	15.0796; 11.8853; 16.7606 90; 90; 90	3003.9	Imer, Marcos Ramón; González, Mariana Estefani; Veiga, Nicolás; Kremer, Carlos; Suescun, Leopoldo; Arizaga, Livia Synthesis, structural characterization and scalable preparation of new amino-zinc borates. Dalton Trans., 2017
7228082	CIF	B4 H6 K2 O10	P -1	7.1742; 7.8472; 8.9702 68.551; 88.368; 74.877	452.49	Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates CrystEngComm, 2017
4349705	CIF	B4 Li6 O12 Zn3	P -1	4.9516; 9.48; 11.95 105.358; 101.862; 104.252	501.8	Chen, Yanna; An, Donghai; Zhang, Min; Hu, Cong; Mutailipu, Miriding; Yang, Zhihua; Lu, Xiaoquan; Pan, Shilie Li6Zn3(BO3)4: a new zincoborate featuring vertex-, edge- and face-sharing LiO4tetrahedra and exhibiting reversible phase transitions Inorganic Chemistry Frontiers, 2017, 4, 1100
4345610	CIF	B4 Ni O7	P 65 2 2	4.256; 4.256; 34.905 90; 90; 120	547.5	Schmitt, Martin K.; Janka, Oliver; Niehaus, Oliver; Dresselhaus, Thomas; Pöttgen, Rainer; Pielnhofer, Florian; Weihrich, Richard; Krzhizhanovskaya, Maria; Filatov, Stanislav; Bubnova, Rimma; Bayarjargal, Lkhamsuren; Winkler, Björn; Glaum, Robert; Huppertz, Hubert Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7. Inorganic chemistry, 2017, 56, 4217-4228
2311499	CIF Paper	B5 Cd0.09 Na3 O10 Zn0.91	P b c a	7.9407; 12.293; 18.0684 90; 90; 90	1763.7	Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1774-1778
2311500	CIF Paper	B5 Mg0.155 Na3 O10 Zn0.845	P b c a	7.8931; 12.2555; 18.0874 90; 90; 90	1749.7	Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1774-1778
4345815	CIF	B7 Ba12 F4 Li O21	P 42 b c	13.53491; 13.53491; 14.93849 90; 90; 90	2736.64	Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B. Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with "Antizeolite" Structure. Inorganic chemistry, 2017, 56, 5411-5419
4345660	CIF	B7 Ba12 F4 Li0.5 Na0.5 O21	P 42 b c	13.56238; 13.56238; 14.93712 90; 90; 90	2747.51	Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B. Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with "Antizeolite" Structure. Inorganic chemistry, 2017, 56, 5411-5419
4345816	CIF	B7 Ba12 F4 Na O21	P 42 b c	13.59612; 13.59612; 14.9394 90; 90; 90	2761.62	Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B. Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with "Antizeolite" Structure. Inorganic chemistry, 2017, 56, 5411-5419
7228081	CIF	B7 Cs2 H5 O14	P 1 21/n 1	8.356; 11.971; 14.109 90; 103.52; 90	1372	Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates CrystEngComm, 2017
1547891	CIF	B7 Eu O16	P -1	6.8148; 7.1444; 12.7191 96.093; 98.513; 101.75	593.64	Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang Rare earth separations by selective borate crystallization Nature Communications, 2017, 8, 14438
1547890	CIF	B7 O17 Sm	C 1 2/m 1	8.7754; 27.454; 6.8312 90; 127.524; 90	1305.3	Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang Rare earth separations by selective borate crystallization Nature Communications, 2017, 8, 14438
1548109	CIF	B7.25 Ba12 F2.25 O21.75	P b a m	13.60119; 13.65014; 14.87279 90; 90; 90	2761.25	Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Simonova, Ekaterina A.; Goryainov, Sergey V. New fluoride borate with ‘anti-zeolite’ structure: A possible link to Ba 3 (BO 3 ) 2 Journal of Alloys and Compounds, 2017, 694, 1196
1560409	CIF	B9 K3 Li3 O27 Y7	P c a 21	20.7431; 6.3873; 17.4741 90; 90; 90	2315.19	Bräuchle, Sebastian; Huppertz, Hubert Synthesis and structural characterization of Li3K3Y7(BO3)9 Journal of Solid State Chemistry, 2017, 253, 242-248
1545111	CIF	Ba	P 21/b 1 1	11.608; 11.634; 4.634 90; 90; 90	625.81	Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157
1545112	CIF	Ba	P 21/b 1 1	11.6146; 11.6256; 4.6341 90; 90; 90	625.727	Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157
1545113	CIF	Ba	P 21/b 1 1	11.5313; 11.6527; 4.6109 90; 90; 90	619.57	Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157
1545114	CIF	Ba	P 21/b 1 1	11.5457; 11.5882; 4.599 90; 90; 90	615.318	Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157
1545115	CIF	Ba	P 21/b 1 1	11.4996; 11.5527; 4.6035 90; 90; 90	611.582	Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157
1545116	CIF	Ba	P 21/b 1 1	11.439; 11.53; 4.5937 90; 90; 90	605.9	Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157
7042947	CIF	Ba Cu F O4 P	P 21 21 21	4.9167; 8.8988; 9.4929 90; 90; 90	415.34	Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Chen, Sihuai Synthesis and magnetic properties of two isostructural fluorophosphates BaMPO4F (M = Cu, Co) with a tunnel structure Dalton Trans., 2017
2242228	CIF HKL Paper	Ba Cu0.34 S3 Ta0.66	P 63/m m c	6.835; 6.835; 5.8318 90; 90; 120	235.94	Bu, Kejun; He, Jianqiao; Wang, Dong; Zheng, Chong; Huang, Fuqiang Crystal structure of the mixed-metal trisulfide BaCu~1/3~Ta~2/3~S~3~ Acta Crystallographica Section E, 2017, 73, 713-715
7228410	CIF	Ba Cu2 Ge S4	P 31 2 1	6.2092; 6.2092; 15.52 90; 90; 120	518.2	Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations RSC Adv., 2017, 7, 29378
7228411	CIF	Ba Cu2 Ge Se4	P 31 2 1	6.5014; 6.5014; 16.266 90; 90; 120	595.42	Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations RSC Adv., 2017, 7, 29378
7228409	CIF	Ba Cu2 S4 Sn	P 32 2 1	6.353; 6.353; 15.788 90; 90; 120	551.8	Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations RSC Adv., 2017, 7, 29378
7228407	CIF	Ba Cu2 Se4 Si	P 32 2 1	6.4188; 6.4188; 16.083 90; 90; 120	573.9	Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations RSC Adv., 2017, 7, 29378
7228408	CIF	Ba Cu2 Se4 Sn	A m a 2	11.101; 11.189; 6.728 90; 90; 90	835.7	Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations RSC Adv., 2017, 7, 29378
4345255	CIF	Ba D1.28 Sn	P n m a	16.3097; 4.5554; 12.9169 90; 90; 90	959.69	Auer, Henry; Guehne, Robin; Bertmer, Marco; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas; Hase, Jürgen; Holger Kohlmann Hydrides of Alkaline-earth-Tetrel (AeTt) Zintl phases PART I: Covalent Tt-H Bonds from Silicon to Tin Inorganic Chemistry, 2017, 56, 1061-1071
1547274	CIF	Ba D1.56 Ge	P n m a	15.804; 4.2293; 25.855 90; 90; 90	1728.1	Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds Angewandte Chemie International Edition, 2017, 56, 12344-12347
4345054	CIF	Ba D1.86 Si	P n m a	15.622; 4.1113; 4.4732 90; 90; 90	287.3	Auer, Henry; Guehne, Robin; Bertmer, Marko; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas Christian; Haase, Jürgen; Kohlmann, Holger Hydrides of Alkaline Earth-Tetrel (AeTt) Zintl Phases: Covalent Tt-H Bonds from Silicon to Tin. Inorganic chemistry, 2017, 56, 1061-1071
7042792	CIF	Ba Eu K Mo3 O12	C 1 2/c 1	17.423; 12.2473; 5.3445 90; 106.281; 90	1094.7	Wang, Guoqiang; Gong, Xinghong; Chen, Yujin; Huang, Jianhua; Lin, Yanfu; Luo, Zundu; Huang, Yidong Novel red phosphors KBaEu(XO4)3 (X=Mo, W) show high color purity and high thermostability from a disorder chained structure Dalton Trans., 2017
2242166	CIF HKL Paper	Ba Fe Mn2 O12 P3	P b c n	6.5899; 17.6467; 8.5106 90; 90; 90	989.7	Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates) Acta Crystallographica Section E, 2017, 73, 767-770
7228468	CIF	Ba Fe1.95 Se3	P n m a	11.936; 5.4322; 9.1679 90; 90; 90	594.44	Gao, Juanjuan; Teng, Yifei; Liu, Wei; Chen, Shufan; Tong, Wenming; Li, Min; Zhao, Xudong; Liu, Xiaoyang The synthesis and magnetic properties of BaFe2Se3 single crystals RSC Adv., 2017, 7, 30433
4002759	CIF	Ba Fe4 O7	P -3 1 c	5.1503; 5.1503; 13.8069 90; 90; 120	317.17	Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures Chemistry of Materials, 2017, 29, 2689
4345405	CIF	Ba Ge2 Ni2	P n m a	8.3901; 11.3249; 4.295 90; 90; 90	408.1	Hlukhyy, Viktor; Trots, Dmytro; Fässler, Thomas F First-Order Phase Transition in BaNi2Ge2 and the Influence of the Valence Electron Count on Distortion of the ThCr2Si2 Structure Type. Inorganic chemistry, 2017, 56, 1173-1185
4345406	CIF	Ba Ge2 Ni2	I 4/m m m	4.26654; 4.26654; 11.2544 90; 90; 90	204.868	Hlukhyy, Viktor; Trots, Dmytro; Fässler, Thomas F First-Order Phase Transition in BaNi2Ge2 and the Influence of the Valence Electron Count on Distortion of the ThCr2Si2 Structure Type. Inorganic chemistry, 2017, 56, 1173-1185
1560356	CIF	Ba Li0.19 N0.2 Nb0.81 O2.8	P m -3 m	4.115489; 4.115489; 4.115489 90; 90; 90	69.7051	Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba) Journal of Solid State Chemistry, 2017, 254, 1-8
1560358	CIF	Ba Mg0.19 N0.47 Nb0.81 O2.53	P m -3 m	4.11972; 4.11972; 4.11972 90; 90; 90	69.9203	Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba) Journal of Solid State Chemistry, 2017, 254, 1-8
1547847	CIF	Ba N Nb O2	P m -3 m	4.12829; 4.12829; 4.12829 90; 90; 90	70.3575	Fujii, K.; Shimada, K.; Yashima, M. Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction Journal of the Ceramic Society of Japan, 2017, 125, 808-810
1560357	CIF	Ba N0.25 Na0.21 Nb0.79 O2.75	P m -3 m	4.14577; 4.14577; 4.14577 90; 90; 90	71.255	Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba) Journal of Solid State Chemistry, 2017, 254, 1-8
3000125	CIF	Ba O16 Ra3 S4	P n m a	9.06956; 5.51771; 7.27476 90; 90; 90	364.052	Matyskin, Artem V.; Ylmen, Rikard; Lagerkvist, Petra; Ramebäck, Henrik; Ekberg, Christian Crystal structure of radium sulfate: An X-ray powder diffraction and density functional theory study Journal of Solid State Chemistry, 2017, 253, 15-20
7056078	CIF	Ba O6 Pb Si2	C m c m	5.5092; 15.45; 7.287 90; 90; 90	620.2	Dong, Lingyun; Jia, Liangliang; Wang, Lijun New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16 New J. Chem., 2017
1560610	CIF	Ba0.17 In0.17 Ir0.17 La0.17 O	P b n m	5.7894; 5.7959; 8.1742 90; 90; 90	274.28	Flynn, Joshua; Li, Jun; Ramirez, Arthur P.; Subramanian, M.A. The effect of iridium oxidation state on the electronic properties of perovskite-type solid solutions: Ba2‒La InIrO6 and BaLaIn1‒Ca IrO6 Journal of Solid State Chemistry, 2017, 247, 53-59
2311740	CIF	Ba0.47 Nb2 O6 Sr0.53	P 4 b m (a,b,2*c)	12.4629; 12.4629; 7.9032 90; 90; 90	1227.56	Graetsch, Heribert A. Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 820-826
2311739	CIF	Ba0.476 Nb2 O6 Sr0.524	P 4 b m (a,b,2*c)	12.4693; 12.4693; 7.9006 90; 90; 90	1228.41	Graetsch, Heribert A. Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 820-826
4002830	CIF	Ba0.89 Fe4 K0.21 O7	P -3 1 c	5.1532; 5.1532; 13.8134 90; 90; 120	317.68	Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures Chemistry of Materials, 2017, 29, 2689
7042793	CIF	Ba1.12 Eu K0.88 O12 W3	C 1 2/c 1	17.536; 12.1979; 5.3452 90; 105.801; 90	1100.1	Wang, Guoqiang; Gong, Xinghong; Chen, Yujin; Huang, Jianhua; Lin, Yanfu; Luo, Zundu; Huang, Yidong Novel red phosphors KBaEu(XO4)3 (X=Mo, W) show high color purity and high thermostability from a disorder chained structure Dalton Trans., 2017
7227500	CIF	Ba10 Ga2 Se22 Sn9	C m c 21	9.3844; 44.834; 12.4159 90; 90; 90	5223.9	Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22 RSC Adv., 2017, 7, 8082
1560379	CIF	Ba12 In4 Se20	R -3 :H	10.036; 10.036; 78.286 90; 90; 120	6828.7	Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19 Journal of Solid State Chemistry, 2017, 253, 29-34
1560380	CIF	Ba12 In4 Se20	R -3 :H	10.0108; 10.0108; 78.184 90; 90; 120	6785.6	Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19 Journal of Solid State Chemistry, 2017, 253, 29-34
7044391	CIF	Ba12 S23 Sn4	P 1 21/n 1	13.406; 12.423; 26.849 90; 95.82; 90	4448	Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13 Dalton Trans., 2017
7229267	CIF	Ba2 Cd2 O12 Se4	P n m a	16.5983; 5.4518; 7.1154 90; 90; 90	643.88	Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations CrystEngComm, 2017
1560432	CIF	Ba2 Cd3 H2 O16 P4	P 1 21/c 1	8.092; 9.1506; 9.8208 90; 100.868; 90	714.15	Chang, Tong-Ying; Hu, Chun-Li; Yan, Dong; Mao, Jiang-Gao (H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates Journal of Solid State Chemistry, 2017, 251, 19-25
2311777	CIF	Ba2 Ce2 O13 Si4	P -1	6.7062; 8.9719; 10.1565 86.6118; 73.5658; 86.4609	584.45	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
1560410	CIF	Ba2 Cl5 Cs	P 1 21/c 1	9.5203; 8.2098; 13.164 90; 90.192; 90	1028.89	Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A. Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5 Journal of Solid State Chemistry, 2017, 253, 258-262
2311782	CIF	Ba2 Dy2 O13 Si4	C 1 2/c 1	12.8478; 5.202; 17.525 90; 104.077; 90	1136.1	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311784	CIF	Ba2 Er2 F2 O12 Si4	P -1	5.476; 7.166; 8.958 108.138; 102.03; 92.742	324.3	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311780	CIF	Ba2 Eu2 O13 Si4	C 1 2/c 1	12.9545; 5.2311; 17.595 90; 104.23; 90	1155.8	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311787	CIF	Ba2 F2 Lu2 O12 Si4	P -1	5.451; 7.1227; 8.8937 107.73; 101.81; 93.01	319.5	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311785	CIF	Ba2 F2 O12 Si4 Tm2	P -1	5.4609; 7.1258; 8.9379 107.809; 101.987; 92.866	321.5	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311786	CIF	Ba2 F2 O12 Si4 Yb2	P -1	5.4461; 7.1212; 8.9128 107.798; 101.866; 92.9455	319.66	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
7044585	CIF	Ba2 F2 S2	C 1 2/m 1	6.1014; 6.2138; 7.3925 90; 103.813; 90	272.17	Driss, Dalel; Cadars, Sylvian; Deniard, Philippe; Mévellec, Jean-Yves; Corraze, Benoit; Janod, Etienne; Cario, Laurent Crystal structure and chemical bonding in the mixed anion compound BaSF Dalton Trans., 2017
2311783	CIF	Ba2 Ho2 O13 Si4	C 1 2/c 1	12.8127; 5.1934; 17.514 90; 103.971; 90	1130.9	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311776	CIF Paper	Ba2 La2 O13 Si4	P -1	6.7327; 8.9894; 10.2191 86.6588; 73.566; 86.5873	591.62	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
7042449	CIF	Ba2 Li2 O40 P12 Pb7	P -1	7.4579; 7.8016; 15.632 80.366; 85.329; 78.983	879	Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4678-4684
7056079	CIF	Ba2 O10 Pb S Si2	P n m a	7.252; 5.4841; 24.352 90; 90; 90	968.5	Dong, Lingyun; Jia, Liangliang; Wang, Lijun New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16 New J. Chem., 2017
1560511	CIF	Ba2 O10 Se3 V	P n m a	16.2799; 5.3489; 11.6559 90; 90; 90	1014.99	Konatham, Satish; Vidyasagar, Kanamaluru Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10 Journal of Solid State Chemistry, 2017, 249, 39-45
2311778	CIF	Ba2 O13 Pr2 Si4	P -1	6.688; 8.953; 10.1324 86.5023; 73.5481; 86.2929	580.07	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311779	CIF	Ba2 O13 Si4 Sm2	C 1 2/c 1	12.9961; 5.2355; 17.626 90; 104.148; 90	1162.9	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311781	CIF	Ba2 O13 Si4 Tb2	C 1 2/c 1	12.8568; 5.2019; 17.5243 90; 104.147; 90	1136.48	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
1560485	CIF	Ba2 O18 Te3 V4	C 1 2/c 1	19.8104; 5.6194; 14.8167 90; 98.874; 90	1629.69	Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 ) Journal of Solid State Chemistry, 2017, 249, 21-26
1560483	CIF	Ba3 Cl0.91 O14.09 Si4 Ti2	P 4/m b m	8.6717; 8.6717; 18.6492 90; 90; 90	1402.39	Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad A fresnoite-structure-related mixed valent titanium(III/IV) chlorosilicate, Ba3Ti2Si4O14Cl: A flux crystal growth route to Ti(III) containing oxides Journal of Solid State Chemistry, 2017, 250, 128-133
7041862	CIF	Ba4 Cl2 Ge3 S9	P 63	9.82; 9.82; 12.0544 90; 90; 120	1006.7	Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2715-2721
7041863	CIF	Ba4 Cl2 Ge3 Se9	P 63	10.0924; 10.0924; 12.5117 90; 90; 120	1103.66	Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2715-2721
7041861	CIF	Ba4 Cl2 Se9 Si3	P 63	10.0024; 10.0024; 12.406 90; 90; 120	1074.9	Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2715-2721
7044389	CIF	Ba4 Ga4 S12 Sn	P -4 21 c	13.0665; 13.0665; 6.304 90; 90; 90	1076.3	Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13 Dalton Trans., 2017
1560411	CIF	Ba5 Cl Cs Se9 Ti2	I 4/m c m	8.7897; 8.7897; 14.3415 90; 90; 90	1108.01	Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A. Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5 Journal of Solid State Chemistry, 2017, 253, 258-262
7119576	CIF	Ba5 Cu8 In2 S12	C 1 2/c 1	14.584; 16.369; 10.509 90; 100.14; 90	2470	Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Chen, Yu-Kun; Yu, Ju-Song; Wu, Li-Ming Ba5Cu8In2S12: a quaternary semiconductor with a unique 3D copper-rich framework and ultralow thermal conductivity. Chemical communications (Cambridge, England), 2017, 53, 2590-2593
1560346	CIF	Ba5.25 Pb1.75 S13 Sn3	P n m a	12.208; 23.499; 8.838 90; 90; 90	2535.4	Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13 Journal of Solid State Chemistry, 2017, 255, 133-138
4002826	CIF	Ba6 Ga2 S16 Zn7	R 3 :H	9.7723; 9.7723; 27.006 90; 90; 120	2233.5	Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties Chemistry of Materials, 2017, 29, 5259
7042450	CIF	Ba6 Li2 O40 P12 Pb3	P -1	7.5293; 7.8246; 15.7265 80.356; 84.68; 78.446	893.22	Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4678-4684
1560345	CIF	Ba6 Pb Se13 Sn3	P n m a	12.73; 24.65; 9.24 90; 90; 90	2899	Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13 Journal of Solid State Chemistry, 2017, 255, 133-138
7042448	CIF	Ba7 Li2 O40 P12 Pb2	P -1	7.5485; 7.8382; 15.829 80.262; 84.733; 78.558	903.06	Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4678-4684
7044390	CIF	Ba7 S13 Sn3	P n m a	12.386; 24.173; 8.872 90; 90; 90	2656	Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13 Dalton Trans., 2017
1547493	CIF	Ba8 Cu14 Ge6 P26	P m -3 n	10.0626; 10.0626; 10.0626 90; 90; 90	1018.9	Wang, Jian; Lebedev, Oleg I.; Lee, Kathleen; Dolyniuk, Juli-Anna; Klavins, Peter; Bux, Sabah K.; Kovnir, Kirill High-efficiency Thermoelectric Ba8Cu14Ge6P26: Bridging the gap between tetrel-based and tetrel-free clathrates Chem. Sci., 2017
7227499	CIF	Ba8 Ga2 Se18 Sn7	P n m a	12.466; 9.358; 18.136 90; 90; 90	2116	Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22 RSC Adv., 2017, 7, 8082
4349725	CIF	Ba9 Sn2.94 Te15	P -6 c 2	10.2403; 10.2403; 20.772 90; 90; 120	1886.4	Zhang, Jun; Su, Rui; Wang, Xiancheng; Li, Wenmin; Zhao, Jianfa; Deng, Zheng; Zhang, Sijia; Feng, Shaomin; Liu, Qingqing; Zhao, Huaizhou; Guan, Pengfei; Jin, Changqing Synthesis, crystal structures, and electronic properties of one dimensional Ba9Sn3(Te1−xSex)15 (x = 0‒1) Inorganic Chemistry Frontiers, 2017, 4, 1337
2311730	CIF	Be2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25	P 1 21/c 1	4.7514; 7.5719; 9.9414 90; 90.015; 90	357.66	Chukanov, Nikita V.; Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Kristiansen, Roy; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Van, Konstantin V.; Bychkova, Yana V.; Britvin, Sergey N. Crystal structure of the OH-dominant gadolinite-(Y) analogue (Y,Ca)<sub>2</sub>(Fe,\σquare )Be<sub>2</sub>Si<sub>2</sub>O<sub>8</sub>(OH,O)<sub>2</sub> from Heftetjern pegmatite, Norway. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 899-906
4002817	CIF	Bi Cu	P m m a	5.188995; 4.230802; 7.86657 90; 90; 90	172.7	Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E. Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study Chemistry of Materials, 2017, 29, 5276
4126512	CIF	Bi Cu2 H3 O10 S Te	P 1 21/c 1	9.591; 6.323; 15.092 90; 115.38; 90	826.9	Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering. Journal of the American Chemical Society, 2017
4126511	CIF	Bi Cu2 O10 S Se	P 1 21/c 1	9.467; 6.3083; 14.775 90; 115.242; 90	798.1	Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering. Journal of the American Chemical Society, 2017
7120700	CIF	Bi Ni	C m c m	3.3873; 9.4079; 3.7587 90; 90; 90	119.78	Powderly, Kelly M.; Clarke, Samantha M.; Amsler, Maximilian; Wolverton, Chris M.; Malliakas, Christos D.; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna High-pressure discovery of β-NiBi Chem. Commun., 2017
1545919	CIF	Bi0.5 K0.5 O3 Ti	P 4 m m	3.9071; 3.9071; 3.9571 90; 90; 90	60.407	Mahmood, Natheer B.; Al-Shakarchi, Emad K. Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT Journal of Modern Physics, 2017, 8, 844-851
1545918	CIF	Bi0.5 Na0.5 O9 Ti	R 3 c :H	5.49; 5.49; 13.387 90; 90; 120	349.429	Mahmood, Natheer B.; Al-Shakarchi, Emad K. Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT Journal of Modern Physics, 2017, 8, 844-851
7044801	CIF	Bi11 Ca13.18 Ce0.82 Mn	I 41/a c d	17.0487; 17.0487; 22.5218 90; 90; 90	6546.1	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044800	CIF	Bi11 Ca13.25 La0.75 Mn	I 41/a c d	17.0504; 17.0504; 22.4927 90; 90; 90	6539	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044809	CIF	Bi11 Ca13.3 Mn Tb0.7	I 41/a c d	17.0087; 17.0087; 22.5276 90; 90; 90	6517.1	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044807	CIF	Bi11 Ca13.31 Dy0.69 Mn	I 41/a c d	16.9971; 16.9971; 22.5175 90; 90; 90	6505.3	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044802	CIF	Bi11 Ca13.34 Mn Pr0.66	I 41/a c d	17.0288; 17.0288; 22.497 90; 90; 90	6523.7	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044808	CIF	Bi11 Ca13.36 Ho0.64 Mn	I 41/a c d	17.0029; 17.0029; 22.5146 90; 90; 90	6508.9	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044805	CIF	Bi11 Ca13.36 Mn Nd0.64	I 41/a c d	17.0378; 17.0378; 22.54 90; 90; 90	6543.1	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044803	CIF	Bi11 Ca13.38 Gd0.62 Mn	I 41/a c d	16.9984; 16.9984; 22.492 90; 90; 90	6499	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044804	CIF	Bi11 Ca13.38 Mn Sm0.62	I 41/a c d	17.0213; 17.0213; 22.5111 90; 90; 90	6522	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
7044806	CIF	Bi11 Ca13.82 Er0.17 Mn	I 41/a c d	17.0353; 17.0353; 22.4637 90; 90; 90	6519	Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8) Dalton Transactions, 2017
4002832	CIF	Bi12.67 I2 S18	P 63	15.612; 15.612; 4.0168 90; 90; 120	847.9	Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E. Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures Chemistry of Materials, 2017
4002831	CIF	Bi13 I2 S18	P 3	15.612; 15.612; 4.0168 90; 90; 120	847.9	Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E. Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures Chemistry of Materials, 2017
4345134	CIF	Bi2 Pb6 Se9	C m c m	4.2567; 14.105; 32.412 90; 90; 90	1946	Casamento, Joseph; Lopez, Juan S.; Moroz, Nicholas A.; Olvera, Alan; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Poudeu, Pierre F. P. Crystal Structure and Thermoelectric Properties of the (7,7)L Lillianite Homologue Pb6Bi2Se9. Inorganic chemistry, 2017, 56, 261-268
4126030	CIF	Bi2.17 Cd1.83 K1.83 S6	C m c m	3.9986; 6.92; 23.184 90; 90; 90	641.5	Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G. The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials. Journal of the American Chemical Society, 2017
4126031	CIF	Bi2.46 Cd1.54 Rb1.53 S6	C m c m	3.9968; 6.9243; 23.7 90; 90; 90	655.9	Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G. The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials. Journal of the American Chemical Society, 2017
4002704	CIF	Bi3 F3 I4 O13	P 63 m c	10.8797; 10.8797; 6.9926 90; 90; 120	716.81	Zhang, Min; Su, Xin; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response Chemistry of Materials, 2017, 29, 945
4002852	CIF	Bi4 Cd Se8 Sn	C 1 2/m 1	13.679; 4.153; 15.127 90; 115.51; 90	775.57	Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G. Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties Chemistry of Materials, 2017, 29, 8494
4002853	CIF	Bi4.04 Cd0.99 Pb0.96 Se8	C 1 2/m 1	13.713; 4.1665; 15.228 90; 115.56; 90	784.9	Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G. Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties Chemistry of Materials, 2017, 29, 8494
4345659	CIF	Bi5 Hf La3	P 63/m c m	9.75092; 9.75092; 6.50865 90; 90; 120	535.936	Murakami, Taito; Yamamoto, Takafumi; Takeiri, Fumitaka; Nakano, Kousuke; Kageyama, Hiroshi Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity Inorganic Chemistry, 2017
4345657	CIF	Bi5 La3 Ti	P 63/m c m	9.69876; 9.69876; 6.46447 90; 90; 120	526.618	Murakami, Taito; Yamamoto, Takafumi; Takeiri, Fumitaka; Nakano, Kousuke; Kageyama, Hiroshi Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity Inorganic Chemistry, 2017
4345658	CIF	Bi5 La3 Zr	P 63/m c m	9.7613; 9.7613; 6.51972 90; 90; 120	537.991	Murakami, Taito; Yamamoto, Takafumi; Takeiri, Fumitaka; Nakano, Kousuke; Kageyama, Hiroshi Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity Inorganic Chemistry, 2017
4126032	CIF	Bi5.74 Cd2.26 Cs2.27 Se12	C m c m	4.1363; 7.1476; 25.047 90; 90; 90	740.5	Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G. The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials. Journal of the American Chemical Society, 2017
4126648	CIF	Bi8 Cl0.64 Cu3.46 O8 Se5.36	I 4/m m m	3.8979; 3.8979; 29.8291 90; 90; 90	453.21	Gibson, Quinn D.; Dyer, Matthew S.; Whitehead, George F. S.; Alaria, Jonathan; Pitcher, Michael J.; Edwards, Holly J.; Claridge, John B.; Zanella, Marco; Dawson, Karl; Manning, Troy D.; Dhanak, Vin R.; Rosseinsky, Matthew J. Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion. Journal of the American Chemical Society, 2017
7043967	CIF	Bi8.07 Eu11 Sn1.93	I 4/m m m	12.5369; 12.5369; 18.124 90; 90; 90	2848.6	Choi, Woongjin; Lee, Junsu; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo Single and Double-Doping Effects on the Thermoelectric Properties of Two Zintl Compounds: Eu11Bi8.07(2)Sn1.93 and Eu10.74(2)K0.26Bi9.14(2)Sn0.86 Dalton Trans., 2017
1548394	CIF	Bi9 Mn5.571 O20.143	P 1	27.72; 27.72; 39.4 90; 90; 120	26218.8	Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities. Nano letters, 2017, 17, 6575-6582
1548395	CIF	Bi9 Mn5.571 O20.143	P 1	27.72; 27.72; 78.8 90; 90; 120	52437.7	Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities. Nano letters, 2017, 17, 6575-6582
7043968	CIF	Bi9.14 Eu10.74 K0.26 Sn0.86	I 4/m m m	12.5414; 12.5414; 18.1027 90; 90; 90	2847.31	Choi, Woongjin; Lee, Junsu; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo Single and Double-Doping Effects on the Thermoelectric Properties of Two Zintl Compounds: Eu11Bi8.07(2)Sn1.93 and Eu10.74(2)K0.26Bi9.14(2)Sn0.86 Dalton Trans., 2017
4126399	CIF	Bk I4 O12	P 4/n	8.5604; 8.5604; 7.5746 90; 90; 90	555.07	Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate. Journal of the American Chemical Society, 2017
4126398	CIF	Bk2 I6 O18	P 1 21/n 1	8.7475; 5.9029; 15.0832 90; 96.8723; 90	773.23	Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate. Journal of the American Chemical Society, 2017
7043348	CIF	Br H6 O6 P3 Sn2	P m n 21	5.4177; 7.1467; 13.8359 90; 90; 90	535.71	Xie, Jie-Ling; Zhou, Yu-Hua; Li, Longhua; Zhang, Jian-Han; Song, Jun-Ling A new method for the preparation of [Sn2(H2PO2)3]Br SHG-active polar crystal by surfactant-induced strategy Dalton Trans., 2017
9017853	CIF	Br0.03 Cl0.02 I0.95 Tl	C m c m	4.567; 12.803; 5.202 90; 90; 90	304.168	Okrugin, V.; Favero, M.; Liu, A.; Etschmann, B.; Plutachina, E.; Mills, S.; Tomkins, A. G.; Lukasheva, M.; Kozlov, V.; Moskaleva, S.; Chubarov, M.; Brugger, J. Smoking gun for thallium geochemistry in volcanic arcs: Nataliyamalikite, TlI, a new thallium mineral from an active fumarole at Avacha Volcano, Kamchatka Peninsula, Russia Note: T = 100 (2) K American Mineralogist, 2017, 102, 1736-1746
4126915	CIF	Br2 Cs4 O83 S8 Ti12	P -1	13.5076; 16.1427; 21.3336 69.897; 72.364; 67.624	3959.3	Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng Titanium-Oxide Host Clusters with Exchangeable Guests. Journal of the American Chemical Society, 2017
7042459	CIF	Br2 Cu5 H16 O24 P4 Sr2	P 4/n m m	9.6799; 9.6799; 12.5073 90; 90; 90	1171.94	Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4461-4466
4002857	CIF	Br6 Cs4 Pb	R -3 c :H	13.7222; 13.7222; 17.299 90; 90; 120	2820.97	De Bastiani, Michele; Dursun, Ibrahim; Zhang, Yuhai; Alshankiti, Buthainah A.; Miao, Xiao-He; Yin, Jun; Yengel, Emre; Alarousu, Erkki; Turedi, Bekir; Almutlaq, Jawaher M.; Saidaminov, Makhsud I.; Mitra, Somak; Gereige, Issam; AlSaggaf, Ahmed; Zhu, Yihan; Han, Yu; Roqan, Iman S.; Bredas, Jean-Luc; Mohammed, Omar F.; Bakr, Osman M. Inside Perovskites: Quantum Luminescence from Bulk Cs4PbBr6 Single Crystals Chemistry of Materials, 2017, 29, 7108
7042527	CIF	Br6 Cu2 H4 O4 Pb4	I 41/a c d :2	14.1711; 14.1711; 15.8493 90; 90; 90	3182.9	Xue, Ying-Ying; Zhang, Li-Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo Ionothermal synthesis of novel Pb-OH-Cu-X (X = Cl, Br and I) quaternary heterometallic frameworks with tunable optical properties. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5183-5188
7042612	CIF	C Ba O3 P	P 1 21/c 1	8.4501; 7.2555; 7.4604 90; 99.837; 90	450.67	Melánová, Klára; Beneš, Ludvík; Svoboda, Jan; Zima, Vítězslav; Vlček, Milan; Trchová, Miroslava Synthesis and characterization of new barium methylphosphonates. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5363-5372
7042613	CIF	C Ba O4 P	P 1 21/c 1	20.5077; 7.21752; 7.49087 90; 95.5216; 90	1103.61	Melánová, Klára; Beneš, Ludvík; Svoboda, Jan; Zima, Vítězslav; Vlček, Milan; Trchová, Miroslava Synthesis and characterization of new barium methylphosphonates. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5363-5372
7042944	CIF	C Cs Li O3	P 1 21/n 1	7.257; 7.173; 7.866 90; 115.983; 90	368.1	Liu, Qiong; Li, Zhi; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie LiMCO3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence. Dalton transactions (Cambridge, England : 2003), 2017
4125845	CIF	C F K Mg O3	P -6 2 m	8.8437; 8.8437; 3.9254 90; 90; 120	265.878	Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017, 139, 1285-1295
7228697	CIF	C H Br0 Cl0.02 N O S0.02	C 1 2/c 1	24.0379; 8.6157; 16.3926 90; 99.7; 90	3346.43	Blesic, Marijana; Gilmore, Brendan F.; Holbrey, John D.; Jacquemin, Johan; Level, Gaelle; Nockemann, Peter; Stella, Lorenzo An introduction to zwitterionic salts Green Chem., 2017
7042865	CIF	C H Cl F Fe Ni P S	P 1 21/c 1	39.3157; 11.8932; 18.1269 90; 92.5325; 90	8467.7	Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes Dalton Trans., 2017
7155457	CIF	C H Cl N O	P -1	9.5682; 9.6574; 14.765 88.829; 86.829; 76.122	1322.5	Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence. Organic & biomolecular chemistry, 2017, 15, 1580-1583
7043377	CIF	C H Cs N4 O	P b a m	6.9541; 13.8119; 4.903 90; 90; 90	470.93	He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable Dalton Trans., 2017
1553608	CIF	C H F N O	P -1	9.4574; 9.9936; 14.0156 89.023; 76.071; 71.074	1213.5	Xu, Jian; Song, Qiuling Synthesis of fully-substituted 1,2,3-triazoles via copper(i)-catalyzed three-component coupling of sulfoximines, alkynes and azides Organic Chemistry Frontiers, 2017, 4, 938
7235158	CIF	C H F N O S	P 1 21/c 1	20.943; 4.6447; 14.264 90; 109.415; 90	1308.6	Liang Zhao; Dongwei Zhang; Yanan Zhu; Sen Peng; Hong Meng; Wei Huang Effects of a highly lipophilic substituent on the environmental stability of naphthalene tetracarboxylic diimide-based n-channel thin-film transistors Journal of Materials Chemistry C, 2017, 5, 848-853
7043376	CIF	C H K N4 O	P 1 21/n 1	4.1001; 12.9476; 8.1433 90; 101.419; 90	423.74	He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable Dalton Trans., 2017
7120582	CIF	C H N O	P 1 21/c 1	7.8533; 17.4662; 13.5621 90; 97.846; 90	1842.9	Mai, Shaoyu; Rao, Changqing; Chen, Ming; Su, Ji-Hu; Du, Jiangfeng; Song, Qiuling Merging gold catalysis, organocatalytic oxidation, and lewis acid catalysis for chemodivergent synthesis of functionalized oxazoles from N-propargylamides Chem. Commun., 2017
7236876	CIF	C H N O S	P -1	9.639; 11.745; 22.285 76.86; 81.81; 88.16	2431.8	Chen, Jianhua; Zhang, Xianhe; Wang, Gang; Uddin, Mohammad Afsar; Tang, Yumin; Wang, Yulun; Liao, Qiaogan; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang Dithienylbenzodiimide: a new electron-deficient unit for n-type polymer semiconductors Journal of Materials Chemistry C, 2017, 5, 9559
7043374	CIF	C H N4 O Rb	P -1	4.948; 7.1191; 7.4189 67.289; 71.888; 89.451	227.3	He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable Dalton Trans., 2017
2242211	CIF HKL Paper	C H O3 Rb	C 1 2/m 1	14.807; 5.8216; 4.0217 90; 104.321; 90	335.9	Larvor, Carla; Stöger, Berthold The phase transition of rubidium hydrogen carbonate, RbHCO~3~ Acta Crystallographica Section E, 2017, 73, 975-979
2242212	CIF HKL Paper	C H O3 Rb	C -1	14.945; 5.8212; 3.9699 89.343; 104.096; 92.748	334.59	Larvor, Carla; Stöger, Berthold The phase transition of rubidium hydrogen carbonate, RbHCO~3~ Acta Crystallographica Section E, 2017, 73, 975-979
4126748	CIF	C H12 Mn N2 O6 P3	P 1 21/n 1	7.4021; 10.2234; 13.4765 90; 103.573; 90	991.35	Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017
7042507	CIF	C H2 Li N6 O3	P 1 21/c 1	8.276; 10.814; 6.065 90; 106.073; 90	521.58	Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5033-5040
7042614	CIF	C H2 Mn Na O6 S	C 1 2/c 1	17.1457; 6.3087; 11.5051 90; 115.424; 90	1123.95	Behera, Jogendra Nath; Tiwari, Ranjay K. Organic‒inorganic hybrid Three-Dimensional Metal Sulfite- Oxalate with honeycomb-like structures Dalton Trans., 2017
7042860	CIF	C H3 Cl3 Si	P 1 c 1	9.877; 6.3981; 9.8704 90; 103.471; 90	606.59	Wagler, Jörg; Gericke, Robert Molecular structures of various alkyldichlorosilanes in the solid state Dalton Trans., 2017
7043372	CIF	C H3 Li N4 O2	P 1 21/c 1	6.6019; 5.087; 14.9308 90; 99.846; 90	494.05	He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable Dalton Trans., 2017
2242021	CIF HKL Paper	C H3 N2 O Rb	P 1 21/n 1	6.8658; 8.7614; 7.2447 90; 114.219; 90	397.441	Grassl, Tobias; Korber, Nikolaus Crystal structure of rubidium methyldiazotate Acta Crystallographica Section E, 2017, 73, 159-161
7043369	CIF	C H3 N4 Na O2	P 1 21/n 1	3.5385; 15.151; 8.3696 90; 94.465; 90	447.35	He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable Dalton Trans., 2017
7042858	CIF	C H4 Cl2 Si	P -1	5.9079; 6.3658; 8.112 103.99; 96.08; 116.596	256.52	Wagler, Jörg; Gericke, Robert Molecular structures of various alkyldichlorosilanes in the solid state Dalton Trans., 2017
1545319	CIF	C H5 Br3 N2 Pb	P m -3 m	5.96976; 5.96976; 5.96976 90; 90; 90	212.751	Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites. Nano letters, 2017, 17, 1727-1732
2242096	CIF HKL Paper	C H5 I N2	P 1 21/c 1	4.8211; 13.776; 7.0113 90; 98.06; 90	461.06	Petrov, Andrey A.; Goodilin, Eugene A.; Tarasov, Alexey B.; Lazarenko, Vladimir A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N. Formamidinium iodide: crystal structure and phase transitions Acta Crystallographica Section E, 2017, 73, 569-572
7236563	CIF	C H5 I3 N2 Pb	P -4 3 m	6.3691; 6.3691; 6.3691 90; 90; 90	258.365	Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals Journal of Materials Chemistry A, 2017, 5, 8537
4125879	CIF	C H5.15 Br0.45 I2.55 N1.85 Pb	P m -3 m	6.2242; 6.2242; 6.2242 90; 90; 90	241.13	Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals. Journal of the American Chemical Society, 2017, 139, 3320-3323
7236562	CIF	C H5.15 I3 N1.85 Pb	P m -3 m	6.3749; 6.3749; 6.3749 90; 90; 90	259.07	Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals Journal of Materials Chemistry A, 2017, 5, 8537
7236561	CIF	C H5.85 I3 N1.15 Pb	P m -3 m	6.3191; 6.3191; 6.3191 90; 90; 90	252.328	Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals Journal of Materials Chemistry A, 2017, 5, 8537
1545320	CIF	C H6 Br3 N Pb	P m -3 m	5.9195; 5.9195; 5.9195 90; 90; 90	207.422	Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites. Nano letters, 2017, 17, 1727-1732
7236651	CIF	C H6 I3 N Pb	P m -3 m	6.3026; 6.3026; 6.3026 90; 90; 90	250.36	Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties Journal of Materials Chemistry A, 2017, 5, 21919
4345114	CIF	C H6 I3 N3 Sn	P 1 21/c 1	9.3044; 21.1918; 18.5797 90; 119.962; 90	3173.9	Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry, 2017, 56, 56-73
4345115	CIF	C H6 I3 N3 Sn	P 63/m	9.3309; 9.3309; 21.546 90; 90; 120	1624.59	Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry, 2017, 56, 56-73
7227818	CIF	C H7 Cl Cu N2 O6	P n m a	7.4087; 7.8568; 12.3745 90; 90; 90	720.3	Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J. Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties CrystEngComm, 2017, 19, 1831
7227817	CIF	C H7 Cu N3 O5	P m n b	7.1767; 7.3661; 12.3418 90; 90; 90	652.44	Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J. Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties CrystEngComm, 2017, 19, 1831
1549272	CIF	C H7.89 N O7.45 P V	P -1	6.3844; 7.2278; 9.2965 67.26; 72.927; 85.848	377.8	C. Kouvatas; V. Alonzo; T. Bataille; L. Le Polles; C. Roiland; G. Louarn; E. Le Fur Synthesis, crystal structure of the ammonium vanadyl oxalatophosphite and its controlled conversion into catalytic vanadyl phosphates Journal of Solid State Chemistry, 2017, 253, 73-77
7042943	CIF	C Li O3 Rb	P 1 21/n 1	6.849; 7.162; 7.525 90; 114.961; 90	334.6	Liu, Qiong; Li, Zhi; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie LiMCO3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence. Dalton transactions (Cambridge, England : 2003), 2017
4126518	CIF	C Na O P	P -6 2 c	8.5229; 8.5229; 7.178 90; 90; 120	451.55	Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J. Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus. Journal of the American Chemical Society, 2017
7043989	CIF	C0 H110 Co4 K2 N0 O123 W19 Zn5	C 1 2/c 1	32.285; 14.674; 21.768 90; 95.18; 90	10270.5	Xing, Songzhu; Han, Qiuxia; Shi, Zhuolin; Wang, Shugai; Yang, PeiPei; Wu, Qiang; Li, Mingxue A hydrophilic inorganic framework based on a sandwich polyoxometalate: unusual chemoselectivity for aldehydes/ketones with in situ generated hydroxylamine. Dalton transactions (Cambridge, England : 2003), 2017
1546836	CIF	C0 H18 B69 Mg7 N0 O126	P -3 1 c	26.1715; 26.1715; 15.3862 90; 90; 120	9126.81	Wang, Jia-Jia; Yang, Guo-Yu A novel supramolecular magnesoborate framework with snowflake-like channels built by unprecedented huge B <sub>69</sub> cluster cages Chemical Communications, 2017, 53, 10398-10401
4131764	CIF	C0.21 H0.58 Br0.21 Mn0.05 N0.05	P 63/m m c	10.031; 10.031; 6.977 90; 90; 120	608	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film. Journal of the American Chemical Society, 2017, 139, 18071-18077
4131510	CIF	C0.3 H0.7 I0.13 N0.09 Rb0.04	R 3 :R	7.272; 7.272; 7.272 84.81; 84.81; 84.81	380.1	Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society, 2017, 139, 10897-10902
4126753	CIF	C0.5 H6 Mn0.5 N1.5 O3 P1.5	I 1 2/m 1	8.7596; 13.2087; 9.6956 90; 89.764; 90	1121.8	Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017
1546912	CIF	C0.75 K0.08 O3.52 Si1.5	P -6 m 2	13.265; 13.265; 7.545 90; 90; 120	1149.8	Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite Catal. Sci. Technol., 2017
7044423	CIF	C0.83 H3.31 Ga0.38 N0.62 O4 P Zn0.62	I 41 3 2	18.0307; 18.0307; 18.0307 90; 90; 90	5861.9	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
7044425	CIF	C0.84 H3.36 Ga0.37 N0.63 O4 P Zn0.63	I 41 3 2	18.0121; 18.0121; 18.0121 90; 90; 90	5843.77	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
7044430	CIF	C0.9 H3.06 Ga0.46 N0.54 O4 P Zn0.54	I 41 3 2	17.949; 17.949; 17.949 90; 90; 90	5782.6	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
7044426	CIF	C0.9 H3.3 Ga0.4 N0.6 O4 P Zn0.6	I 41 3 2	17.9625; 17.9625; 17.9625 90; 90; 90	5795.6	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
7044429	CIF	C0.9 H3.3 Ga0.4 N0.6 O4 P Zn0.6	I 41 3 2	17.9925; 17.9925; 17.9925 90; 90; 90	5824.7	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
7044427	CIF	C0.91 H3.19 Ga0.43 N0.57 O4 P Zn0.57	I 41 3 2	18.0228; 18.0228; 18.0228 90; 90; 90	5854.2	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
7044428	CIF	C0.93 H3.17 Ga0.44 N0.56 O4 P Zn0.56	I 41 3 2	17.947; 17.947; 17.947 90; 90; 90	5780.64	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
7044424	CIF	C0.96 H3.36 Ga0.4 N0.6 O4 P Zn0.6	I 41 3 2	18.0053; 18.0053; 18.0053 90; 90; 90	5837.2	Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence Dalton Trans., 2017
4345461	CIF	C0.97 Al0.89 Mn3.11	P m -3 m	3.875; 3.875; 3.875 90; 90; 90	58.19	Dierkes, Hannes; van Leusen, Jan; Bogdanovski, Dimitri; Dronskowski, Richard Synthesis, Crystal Structure, Magnetic Properties, and Stability of the Manganese-Rich "Mn3AlC" κ Phase. Inorganic chemistry, 2017, 56, 1045-1048
4003331	CIF	C1.29 H3.01 Al N0.33 O4.09 P0.95 Si0.05	P -3 1 c	13.17398; 13.17398; 30.0925 90; 90; 120	4522.96	Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A. STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging Chemistry of Materials, 2017, 29, 2180
7236532	CIF	C1.395 N0.315 O2.415 Ti0.25	I 4/m m m	18.635; 18.635; 18.131 90; 90; 90	6296	Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J. Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light Journal of Materials Chemistry A, 2017, 5, 11854
4126749	CIF	C1.5 H4 Mn0.5 N0.5 O3 P1.5	C 1 2/c 1	13.4506; 10.2196; 7.5274 90; 103.604; 90	1005.69	Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017
4514181	CIF	C1.74 H2.33 Cl0.1 N0.46 O0.36	P -1	11.5039; 13.4991; 13.6851 106.885; 108.723; 94.03	1894.35	Piechowicz, Marek; Abney, Carter W.; Thacker, Nathan C.; Gilhula, James C.; Wang, Youfu; Veroneau, Samuel S.; Hu, Aiguo; Lin, Wenbin Successful Coupling of a Bis-Amidoxime Uranophile with a Hydrophilic Backbone for Selective Uranium Sequestration. ACS applied materials & interfaces, 2017, 9, 27894-27904
7236529	CIF	C1.785 N0.315 O2.148 Ti0.25	I 4/m m m	18.626; 18.626; 18.088 90; 90; 90	6275	Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J. Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light Journal of Materials Chemistry A, 2017, 5, 11854
1544749	CIF	C10 Cl8	P 1 21/n 1	9.7188; 7.1598; 18.2787 90; 98.358; 90	1258.41	Sarkar, Sounak; Row, Tayur N. Guru A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene IUCrJ, 2017, 4
7227208	CIF	C10 H F11 N2	P 21 21 21	5.1207; 9.1029; 24.816 90; 90; 90	1156.75	Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643
4345643	CIF	C10 H10 Ag4 N16 O4	P -1	8.6114; 10.243; 12.344 97.65; 105.8; 92.14	1035.3	Huang, Chao; Han, Xiao; Shao, ZhiChao; Gao, Kuan; Liu, Mengjia; Wang, Yanjie; Wu, Jie; Hou, Hongwei; Mi, Liwei Solvent-Induced Assembly of Sliver Coordination Polymers (CPs) as Cooperative Catalysts for Synthesizing of Cyclopentenone[b]pyrroles Frameworks. Inorganic chemistry, 2017, 56, 4874-4884
7236470	CIF	C10 H10 Au Cl N2	P -1	8.9263; 9.1203; 13.5093 89.5116; 84.5109; 77.147	1067.23	von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters Journal of Materials Chemistry C, 2017, 5, 3765
7236469	CIF	C10 H10 Au Cl3 N2	P 1 21/n 1	7.9815; 19.0268; 9.0159 90; 109.315; 90	1292.11	von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters Journal of Materials Chemistry C, 2017, 5, 3765
1547090	CIF	C10 H10 Br Mn N2 O3	P -1	6.761; 7.2814; 13.336 78.215; 85.488; 72.757	613.7	Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst. Organic letters, 2017, 19, 3656-3659
4126312	CIF	C10 H10 Br2 Cl4 N2 Np O2	C 1 2/m 1	15.9996; 8.6659; 6.8488 90; 102.023; 90	928.76	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126319	CIF	C10 H10 Br2 Cl4 N2 Np O2	C 1 2/m 1	15.715; 8.6156; 6.874 90; 102.349; 90	909.2	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126316	CIF	C10 H10 Br2 Cl4 N2 O2 Pu	C 1 2/m 1	16.1488; 8.734; 6.7757 90; 101.912; 90	935.09	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
8106767	CIF	C10 H10 Br2 N2 Pt	P -1	5.659; 7.0204; 7.7623 79.262; 84.603; 88.928	301.64	Ha, Kwang The crystal structure of trans-dibromido-bis(pyridine-κN)platinum(II), C10H10Br2N2Pt Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 1051-1052
7120062	CIF	C10 H10 Br2 O2	P 1 21/c 1	20.362; 6.3138; 16.3787 90; 95.2864; 90	2096.7	Moriyama, Katsuhiko; Hamada, Tsukasa; Nakamura, Yu; togo, hideo Catalytic Dehydrogenative Dual Functionalization of Ethers: Dealkylation‒Oxidation‒Bromination Accompanied by C‒O Bond Cleavage via Aerobic Oxidation of Bromide Chem. Commun., 2017
8106466	CIF	C10 H10 Br4 N2 Pt	P 1 21/c 1	8.0172; 13.1989; 13.8836 90; 95.995; 90	1461.1	Ha, Kwang Crystal structure of cis-tetrabromidobis(pyridine-κN)platinum(IV), C10H10Br4N2Pt Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 155-156
4349715	CIF	C10 H10 Cd O5	P b c a	9.3966; 7.8853; 29.851 90; 90; 90	2211.81	Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties Inorganic Chemistry Frontiers, 2017, 4, 1384
8106581	CIF	C10 H10 Cl N O3	I b a m	16.124; 19.588; 6.8155 90; 90; 90	2152.6	Zhao, Chun-Shen; Wu, Ming-Yuan; Li, Fei; Liu, Li; Le, Yi Crystal structure of methyl 2-acetamido-5-chlorbenzoate, C10H10ClNO3 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 493-494
1546635	CIF HKL Paper	C10 H10 Cl N3 O3	P -1	4.3949; 9.9144; 13.1376 98.481; 90.755; 97.377	561.19	Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol IUCrData, 2017, 2, x170637
4032484	CIF	C10 H10 Cl N5 O	P 1 21/c 1	6.147; 13.509; 13.966 90; 105.541; 90	1117.3	Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles. The Journal of organic chemistry, 2017
4514098	CIF	C10 H10 Cl2 N4 Pd	P 1 21/n 1	10.0173; 8.6586; 13.7906 90; 99.382; 90	1180.14	Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis. ACS applied materials & interfaces, 2017, 9, 13785-13792
4126313	CIF	C10 H10 Cl4 I2 N2 Np O2	C 1 2/m 1	16.3553; 8.668; 6.9455 90; 102.394; 90	961.7	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126320	CIF	C10 H10 Cl4 I2 N2 Np O2	C 1 2/m 1	16.084; 8.61; 6.9394 90; 103.004; 90	936.3	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126317	CIF	C10 H10 Cl4 I2 N2 O2 Pu	C 1 2/m 1	16.4644; 8.7019; 6.8794 90; 102.267; 90	963.12	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126311	CIF	C10 H10 Cl6 N2 Np O2	C 1 2/m 1	15.7687; 6.7068; 9.0971 90; 105.585; 90	926.71	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126318	CIF	C10 H10 Cl6 N2 Np O2	C 1 2/m 1	15.705; 6.5663; 9.05 90; 105.538; 90	899.2	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126315	CIF	C10 H10 Cl6 N2 O2 Pu	C 1 2/m 1	15.8025; 6.7045; 9.1106 90; 105.384; 90	930.66	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
1545015	CIF HKL Paper	C10 H10 Co F12 O8	P 1 21/c 1	11.139; 6.979; 12.546 90; 102.221; 90	953.2	Tominaga, Takumi; Mochida, Tomoyuki <i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate IUCrData, 2017, 2, x170002
4345352	CIF	C10 H10 Co N8 O2 S2	P -1	7.752; 8.79; 12.3723 103.615; 96.61; 101.962	789.57	Bruno, Rosaria; Vallejo, Julia; Marino, Nadia; De Munno, Giovanni; Krzystek, J.; Cano, Joan; Pardo, Emilio; Armentano, Donatella Cytosine Nucleobase Ligand: A Suitable Choice for Modulating Magnetic Anisotropy in Tetrahedrally Coordinated Mononuclear Co(II) Compounds. Inorganic chemistry, 2017, 56, 1857-1864
4345064	CIF	C10 H10 Co N8 O4	P -1	7.4076; 8.6627; 11.62 97.195; 93.976; 103.077	716.91	Bruno, Rosaria; Vallejo, Julia; Marino, Nadia; De Munno, Giovanni; Krzystek, J.; Cano, Joan; Pardo, Emilio; Armentano, Donatella Cytosine Nucleobase Ligand: A Suitable Choice for Modulating Magnetic Anisotropy in Tetrahedrally Coordinated Mononuclear Co(II) Compounds. Inorganic chemistry, 2017, 56, 1857-1864
1545769	CIF	C10 H10 Co2 O6	R -3	25.866; 25.866; 6.8457 90; 90; 120	3966.5	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci., 2017
4032502	CIF	C10 H10 F N O4	P 1 21/c 1	13.8582; 8.4793; 17.1636 90; 94.026; 90	2011.9	Motornov, Vladimir A.; Muzalevskiy, Vasiliy M.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L. Radical Nitration-Debromination of α-Bromo-α-fluoroalkenes as a Stereoselective Route to Aromatic α-Fluoronitroalkenes-Functionalized Fluorinated Building Blocks for Organic Synthesis. The Journal of organic chemistry, 2017
7041938	CIF	C10 H10 Fe2 O6 Se2 Sn	P -1	9.1082; 9.9385; 10.4292 64.181; 84.863; 88.364	846.36	Abul-Futouh, Hassan; El-Khateeb, Mohammad; Görls, Helmar; Asali, Khalil Jamil; Weigand, Wolfgang Selenium makes the difference: protonation of [FeFe]-hydrogenase mimics with diselenolato ligands. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2937-2947
1545648	CIF HKL	C10 H10 N2 O S	P 1 21/c 1	17.57; 6.3994; 8.869 90; 95.641; 90	992.4	El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen 3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol IUCrData, 2017, 2, x170429
4032507	CIF	C10 H10 N2 O2	P 1 21/n 1	5.793; 23.033; 7.148 90; 102.186; 90	932.3	Yedage, Subhash Laxman; Bhanage, Bhalchandra M. tert-Butyl Nitrite Mediated Synthesis of N-nitrosoamides, Carboxylic Acids, Benzocoumarins and Isocoumarins from Amides. The Journal of organic chemistry, 2017
1545443	CIF	C10 H10 N2 O2 S	P 1 21 1	9.067; 8.352; 13.405 90; 90.005; 90	1015.1	Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota 2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition. Organic letters, 2017, 19, 1096-1099
7236874	CIF	C10 H10 N2 O2 S4	P b c a	23.646; 7.94; 7.2 90; 90; 90	1351.8	Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko Birhodanines and their sulfur analogues for air-stable n-channel organic transistors Journal of Materials Chemistry C, 2017, 5, 9121
7227861	CIF	C10 H10 N2 O2 Se	P 1 21/n 1	21.9362; 4.53698; 23.8161 90; 112.119; 90	2195.83	Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin RSC Adv., 2017, 7, 16721
7227862	CIF	C10 H10 N2 O2 Se	P 1 21/c 1	16.35; 4.6387; 14.6202 90; 102.521; 90	1082.46	Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin RSC Adv., 2017, 7, 16721
2242215	CIF HKL Paper	C10 H10 N2 O3	C 1 2/c 1	21.613; 3.8867; 25.081 90; 115.37; 90	1903.7	Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Iryna V.; Shyshkina, Svitlana V. Crystal structure of <i>N</i>-hydroxyquinoline-2-carboxamide monohydrate Acta Crystallographica Section E, 2017, 73, 795-797
4125843	CIF	C10 H10 N4	P b c a	10.1175; 11.0673; 16.8859 90; 90; 90	1890.77	Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J. Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design. Journal of the American Chemical Society, 2017, 139, 1261-1274
7056673	CIF	C10 H10 N4 O2	P 1 21/c 1	5.422; 10.436; 17.944 90; 91.2; 90	1015.1	Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts New J. Chem., 2017
2311555	CIF	C10 H10 N4 O3	P 1 21/c 1	10.06; 8.2538; 13.536 90; 104.479; 90	1088.2	Lee, Seul Gi; Ryu, Ji Yeon; Lee, Junseong Crystal structure of methyl 2-[5-(2-hy-droxy-phen-yl)-2<i>H</i>-tetra-zol-2-yl]acetate. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1971-1973
7055883	CIF	C10 H10 N5 O6 V	P -1	7.8991; 8.1586; 12.3149 74.517; 85.174; 64.596	690.463	Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study New J. Chem., 2017, 41, 735
7155516	CIF	C10 H10 O	R 3 :H	19.0072; 19.0072; 5.7243 90; 90; 120	1790.97	Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources. Organic & biomolecular chemistry, 2017, 15, 2359-2362
4125682	CIF	C10 H10 O2 S	P 1 21/c 1	5.93; 7.2867; 20.9055 90; 90.331; 90	903.31	Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226
7227192	CIF	C10 H10 O3	P 1 21/c 1	6.53; 10.411; 12.121 90; 97.062; 90	817.8	Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides CrystEngComm, 2017, 19, 276
7228398	CIF	C10 H10 O4	P 21 21 21	8.6487; 9.628; 10.6343 90; 90; 90	885.51	Steinbauer, J.; Spannenberg, A.; Werner, T. An in situ formed Ca2±-crown ether complex and its use in CO2-fixation reactions with terminal and internal epoxides Green Chem., 2017
2311795	CIF	C10 H11 Br2 Hg N O2	P b c a	6.8597; 13.9425; 26.7054 90; 90; 90	2554.1	Truong, Khai Nghi; Merkens, Carina; Englert, Ulli 3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
7056669	CIF	C10 H11 Cl N4 O6	P 1 n 1	4.419; 8.581; 17.499 90; 91.35; 90	663.4	Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts New J. Chem., 2017
2311793	CIF	C10 H11 Cl2 Hg N O2	P 1 21/c 1	7.0762; 25.964; 7.445 90; 118.506; 90	1202	Truong, Khai Nghi; Merkens, Carina; Englert, Ulli 3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
4349699	CIF	C10 H11 Cl4 F2 N O W	P -1	8.1651; 9.4012; 9.9731 87.462; 86.122; 79.773	751.26	Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot Selective ethylene oligomerisation using supported tungsten mono-imido catalysts Inorganic Chemistry Frontiers, 2017, 4, 1048
7056286	CIF	C10 H11 Cl4 In N2 O	C m c m	11.882; 16.042; 7.377 90; 90; 90	1406.1	Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties New J. Chem., 2017
7120648	CIF	C10 H11 F3 O3	C 1 2/c 1	9.7627; 10.491; 20.351 90; 90.785; 90	2084.2	Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media Chem. Commun., 2017
2311797	CIF	C10 H11 Hg I2 N O2	P b c a	7.0546; 14.2685; 27.4248 90; 90; 90	2760.5	Truong, Khai Nghi; Merkens, Carina; Englert, Ulli 3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
7236600	CIF	C10 H11 I N2	P 1 21/c 1	8.2438; 31.628; 17.204 90; 93.388; 90	4477.8	Zhang, Meirong; Jin, Zhitong; Feng, Chuanqi; Wang, Min; Wang, Zhong-Sheng Phenyl and thienyl functionalized imidazolium iodides for highly efficient quasi-solid-state dye-sensitized solar cells Journal of Materials Chemistry A, 2017, 5, 16976
2108187	CIF HKL	C10 H11 N O2	C 1 2/c 1	11.0366; 13.2899; 6.3763 90; 99.548; 90	922.29	Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione Acta Crystallographica Section B, 2017, 73, 1172-1178
2108188	CIF HKL	C10 H11 N O2	P -1	6.2755; 8.6368; 8.657 101.482; 96.2307; 96.0785	453.17	Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione Acta Crystallographica Section B, 2017, 73, 1172-1178
4032328	CIF	C10 H11 N O2	P 1 21/c 1	11.512; 9.57; 9.098 90; 112.68; 90	924.8	Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes. The Journal of organic chemistry, 2017, 82, 1487-1498
7155568	CIF	C10 H11 N O2	P n a 21	14.32966; 8.77119; 14.61018 90; 90; 90	1836.33	Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias Synthesis of Oxazolidinones: Rhodium-Catalyzed C‒H Amination of N-Mesyloxycarbamates. Org. Biomol. Chem., 2017
4126125	CIF	C10 H11 N O3	P 1 21/c 1	20.0813; 7.5198; 12.1237 90; 91.565; 90	1830.09	Schäfer, Mathias; Peckelsen, Katrin; Paul, Mathias; Martens, Jonathan; Oomens, Jos; Berden, Giel; Berkessel, Albrecht; Meijer, Anthony J. H. M. Hydrogen Tunneling above Room Temperature Evidenced by Infrared Ion Spectroscopy. Journal of the American Chemical Society, 2017, 139, 5779-5786
4032902	CIF	C10 H11 N O4 S	P -1	7.1934; 7.9479; 9.7888 80.149; 78.645; 89.534	540.42	Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration. The Journal of organic chemistry, 2017, 82, 10601-10610
2311907	CIF Paper	C10 H11 N3 O4 S2	P 1 21/n 1	7.3654; 6.455; 25.8911 90; 90.808; 90	1230.84	Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 797-802
1545178	CIF	C10 H11 N3 O6 S	P 1 21 1	6.8159; 9.972; 17.7839 90; 98.748; 90	1194.68	Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science, 2017, 8, 2983-2993
7056667	CIF	C10 H11 N5 O5	P 1 21/c 1	8.8062; 17.518; 8.1176 90; 103.15; 90	1219.4	Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts New J. Chem., 2017
7056668	CIF	C10 H11 N5 O5	P 1 n 1	4.2; 8.507; 17.069 90; 94.05; 90	608.3	Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts New J. Chem., 2017
7228316	CIF	C10 H11 N5 O5	P 1 21/c 1	8.8062; 17.518; 8.1176 90; 103.15; 90	1219.4	Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters CrystEngComm, 2017
4345178	CIF	C10 H12 Ag I2 N S	P 42/n :2	19.286; 19.286; 7.4995 90; 90; 90	2789.4	Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures. Inorganic chemistry, 2017, 56, 1906-1918
7155805	CIF	C10 H12 B N3 O2	P 1 c 1	8.5138; 5.9254; 10.259 90; 105.511; 90	498.69	Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids Org. Biomol. Chem., 2017
4125543	CIF	C10 H12 B2 O4	P 1 21/c 1	12.799; 7.758; 10.736 90; 108.119; 90	1013.2	Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules. Journal of the American Chemical Society, 2017, 139, 2728-2733
2311935	CIF Paper	C10 H12 Br2 F8 N2	P 1 21/c 1	13.4659; 11.0854; 10.7955 90; 106.271; 90	1546.95	Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G. Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8). Acta crystallographica. Section C, Structural chemistry, 2017, 73, 874-879
7229200	CIF	C10 H12 Br8 N2 Te	C 1 2/c 1	17.3078; 9.5123; 13.6988 90; 107.821; 90	2147.11	Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P. One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts CrystEngComm, 2017
2242116	CIF HKL Paper	C10 H12 Cl N O2	P 1 21/c 1	10.336; 9.171; 11.87 90; 100.656; 90	1105.8	Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L. Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl Acta Crystallographica Section E, 2017, 73, 1175-1179
2311882	CIF Paper	C10 H12 Cl2 Co N4	C 1 2/c 1	8.9262; 9.9679; 14.9683 90; 101.825; 90	1303.5	Sanchez Montilva, Olga Carolina; Movilla, Federico; Rodriguez, Maricel Gabriela; Di Salvo, Florencia Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN<sup>1</sup>)dichloridocobalt(II). Acta crystallographica. Section C, Structural chemistry, 2017, 73, 399-406
2020903	CIF HKL Paper	C10 H12 Cl3 K O2 Pt	P 1 21/c 1	12.0312; 16.1528; 8.1007 90; 107.295; 90	1503.09	Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator Acta Crystallographica Section C, 2017, 73, 1030-1037
4126310	CIF	C10 H12 Cl4 N2 Np O2	P -1	7.7161; 10.2869; 11.274 78.003; 71.909; 75.712	815.91	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126314	CIF	C10 H12 Cl4 N2 O2 Pu	P -1	7.7417; 10.3137; 11.2637 77.936; 71.773; 75.432	818.42	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126309	CIF	C10 H12 Cl4 N2 O2 U	P -1	7.732; 10.312; 11.343 78.07; 72.22; 75.6	825.7	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
7227638	CIF	C10 H12 Cl8 N2 Nb2 O2	P 1 21/c 1	6.7734; 13.444; 11.9844 90; 103.854; 90	1059.6	Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations RSC Adv., 2017, 7, 10158
7043043	CIF	C10 H12 Cu F N3 O3	P 1 21 1	7.5623; 6.3355; 13.6245 90; 104.307; 90	632.52	Liu, Xiangyu; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Zhang, Chengcheng; Shi, Quan; Song, Weiming; Xie, Gang; Chen, Sanping Substituent effect of phenylacetic acid coligands perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation Dalton Trans., 2017
7043044	CIF	C10 H12 Cu F N3 O3	P 1 21 1	7.6149; 6.433; 13.355 90; 99.363; 90	645.5	Liu, Xiangyu; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Zhang, Chengcheng; Shi, Quan; Song, Weiming; Xie, Gang; Chen, Sanping Substituent effect of phenylacetic acid coligands perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation Dalton Trans., 2017
7044500	CIF	C10 H12 Cu N10	P 1 21/c 1	12.3425; 3.5983; 30.836 90; 91.174; 90	1369.2	Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S. Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies Dalton Trans., 2017
1560692	CIF	C10 H12 Cu N2 O6 S2	P 1 21/n 1	7.4646; 11.4558; 8.6518 90; 100.227; 90	728.09	Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J. Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation Journal of Solid State Chemistry, 2017, 245, 138-145
7044501	CIF	C10 H12 Cu3 N22	P 1 21/c 1	15.3165; 6.0322; 23.3287 90; 94.287; 90	2149.4	Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S. Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies Dalton Trans., 2017
2242117	CIF HKL Paper	C10 H12 I N O2	P 1 21/n 1	11.1587; 9.0288; 12.9899 90; 108.731; 90	1239.4	Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L. Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl Acta Crystallographica Section E, 2017, 73, 1175-1179
4032148	CIF	C10 H12 N2 O8 S2	P -1	6.8561; 7.0999; 7.969 70.08; 88.026; 79.211	358.08	Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System. The Journal of organic chemistry, 2017, 82, 1591-1599
2242159	CIF HKL Paper	C10 H12 N4 O	P -1	7.3885; 8.072; 9.2976 69.039; 89.498; 75.915	500.37	Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T. Synthesis and crystal structures of three new benzotriazolylpropanamides Acta Crystallographica Section E, 2017, 73, 880-885
2242160	CIF HKL	C10 H12 N4 O	P -1	5.5961; 9.3462; 10.472 109.83; 90.93; 97.14	510.2	Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T. Synthesis and crystal structures of three new benzotriazolylpropanamides Acta Crystallographica Section E, 2017, 73, 880-885
1546593	CIF	C10 H12 N4 O4	P 1 21/c 1	12.906; 7.767; 12.122 90; 117.06; 90	1082.1	Zhao, Yi; Mandadapu, Vijaybabu; Iranmanesh, Hasti; Beves, Jonathon E.; Day, Anthony I. The Inheritance Angle: A Determinant for the Number of Members in the Substituted Cucurbit[n]uril Family. Organic letters, 2017
4131460	CIF	C10 H12 N4 Pd	P 1 21/c 1	9.9648; 34.1529; 13.0537 90; 106.465; 90	4260.35	Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment. Journal of the American Chemical Society, 2017, 139, 10633-10636
4032870	CIF	C10 H12 N8	P -1	4.714; 9.5506; 12.6537 80.792; 86.831; 76.742	547.26	Ahmed, Basil M.; Rudell, Nicholas A.; Soto, Ixtlazihuatl; Mezei, Gellert Reaction of Amines with Aldehydes and Ketones Revisited: Access To a Class of Non-Scorpionate Tris(pyrazolyl)methane and Related Ligands. The Journal of organic chemistry, 2017, 82, 10549-10562
4032650	CIF	C10 H12 O2	P 65	14.7787; 14.7787; 7.6213 90; 90; 120	1441.56	Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D. Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones. The Journal of organic chemistry, 2017, 82, 8008-8022
4032664	CIF	C10 H12 O2	P 21 21 21	7.8054; 9.792; 11.058 90; 90; 90	845.168	Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D. Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones. The Journal of organic chemistry, 2017, 82, 8008-8022
4032985	CIF	C10 H12 O2	P 32	11.1863; 11.1863; 6.106 90; 90; 120	661.7	Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis. The Journal of organic chemistry, 2017, 82, 11585-11593
1553777	CIF	C10 H12 O2 S	P 21 21 21	5.7817; 8.2558; 19.972 90; 90; 90	953.3	Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides Organic Chemistry Frontiers, 2017, 4, 1601
7227193	CIF	C10 H12 O3	P 1 21/n 1	14.472; 8.153; 14.494 90; 91.73; 90	1709.4	Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides CrystEngComm, 2017, 19, 276
7228280	CIF	C10 H13 Cl N4 Pt S	C 1 2/c 1	15.957; 15.12; 12.362 90; 122.314; 90	2520.7	Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest RSC Adv., 2017, 7, 26478
7228393	CIF	C10 H13 Cl1.98 N O3	P b c a	12.12852; 7.92362; 25.81707 90; 90; 90	2481.07	D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A. Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide CrystEngComm, 2017
7059102	CIF	C10 H13 Cl2 F3 N2 O2 Pt S	P -1	7.1487; 8.918; 13.5059 82.385; 87.679; 66.909	785	Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu. Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity New Journal of Chemistry, 2017, 41, 6840
7228390	CIF	C10 H13 Cl2 N O3	P b c a	12.2017; 7.959; 25.9259 90; 90; 90	2517.75	D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A. Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide CrystEngComm, 2017
7228391	CIF	C10 H13 Cl2 N O3	P b c a	12.2769; 8.0018; 26.0006 90; 90; 90	2554.23	D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A. Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide CrystEngComm, 2017
7228392	CIF	C10 H13 Cl2 N O3	P b c a	12.2403; 7.9788; 25.9695 90; 90; 90	2536.26	D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A. Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide CrystEngComm, 2017
7228394	CIF	C10 H13 Cl2 N O3	P b c a	12.162; 7.9403; 25.8738 90; 90; 90	2498.63	D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A. Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide CrystEngComm, 2017
4086882	CIF	C10 H13 Cl2 N Pt	P 1 21/c 1	11.9431; 7.5386; 13.3145 90; 95.759; 90	1192.71	Quirós, M. Teresa; Muñoz, María Paz; Christensen, Jeppe; Coles, Simon J. Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the Study of the Dynamic Behavior in Solution Organometallics, 2017, 36, 318
4349700	CIF	C10 H13 Cl4 N O W	P 1 21/c 1	14.7317; 7.1889; 13.9923 90; 102.12; 90	1448.82	Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot Selective ethylene oligomerisation using supported tungsten mono-imido catalysts Inorganic Chemistry Frontiers, 2017, 4, 1048
2311528	CIF Paper	C10 H13 Cu N3 O7	P -1	5.2171; 8.9249; 15.309 105.289; 94.523; 93.295	683.2	Kim, Daeyoung; Kang, Sung Kwon Crystal structure of aqua-(1<i>H</i>-pyrazole-κ<i>N</i><sup>2</sup>)(pyridine-2,6-di-carboxyl-ato-κ<sup>3</sup><i>O</i><sup>2</sup>,<i>N</i>,<i>O</i><sup>6</sup>)copper(II) dihydrate. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1875-1877
7227866	CIF	C10 H13 Er3 O13 S2	P -1	7.2126; 9.2072; 14.3212 77.79; 76.84; 79.26	895.5	Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks CrystEngComm, 2017, 19, 2106
7227865	CIF	C10 H13 Gd3 O13 S2	P -1	7.373; 9.398; 14.426 77.28; 76.81; 78.97	938.8	Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks CrystEngComm, 2017, 19, 2106
7155478	CIF	C10 H13 N O	P 21 21 21	5.9842; 9.104; 16.0223 90; 90; 90	872.9	Li, Ke; Wang, Juxiang; Wu, Kailin; Zheng, Daijun; Zhou, Xiaojian; Han, Wenyong; Wan, Nanwei; Cui, Baodong; Chen, Yongzheng Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19. Organic & biomolecular chemistry, 2017, 15, 3580-3584
2311529	CIF Paper	C10 H13 N O S	P 1 21/c 1	14.3999; 7.0388; 19.9725 90; 91.727; 90	2023.45	Jotani, Mukesh M.; Yeo, Chien Ing; Tiekink, Edward R. T. A new monoclinic polymorph of <i>N</i>-(3-methyl-phen-yl)eth-oxy-carbo-thio-amide: crystal structure and Hirshfeld surface analysis. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1889-1897
7119797	CIF	C10 H13 N O2 S	P n a 21	15.1567; 8.3418; 8.6166 90; 90; 90	1089.43	Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates. Chemical communications (Cambridge, England), 2017, 53, 3854-3857
8106412	CIF	C10 H13 N O3	P 1 21 1	11.8118; 4.9299; 16.5436 90; 101.116; 90	945.28	Tan, Jun-Jie; Liu, Xiao-Yu; Zhang, Jie; Chen, Xi; Li, Yi-Ming; Jiao, Bing-Hua Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 7-8
7229021	CIF	C10 H13 N O5	P 1 21/c 1	11.602; 7.6108; 11.152 90; 95.45; 90	980.3	Kucherov, Fedor; Galkin, Konstantin; Gordeev, Evgeniy; Ananikov, Valentine Efficient route for the construction of polycyclic systems from bioderived HMF Green Chem., 2017
7155448	CIF	C10 H13 N O7	P 1 21 1	6.0454; 14.0347; 7.1416 90; 101.033; 90	594.73	Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J. Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives. Organic & biomolecular chemistry, 2017, 15, 1453-1462
7228319	CIF	C10 H13 N4 O5 S	P -1	6.867; 9.843; 10.687 96.32; 105.85; 99.25	676.8	Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters CrystEngComm, 2017
7056672	CIF	C10 H13 N4 O6 P	P 1 n 1	4.4091; 8.6022; 17.525 90; 91.34; 90	664.5	Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts New J. Chem., 2017
2242283	CIF HKL Paper	C10 H13 N7	C 1 2/c 1	7.507; 12.247; 13.634 90; 99.278; 90	1237.1	Fábry, Jan A long symmetric N···H···N hydrogen bond in bis(4-aminopyridinium)(1+) azide(1{-}): redetermination from the original data Acta Crystallographica Section E, 2017, 73, 1344-1347
7227867	CIF	C10 H13 O13 S2 Y3	P -1	7.235; 9.252; 14.315 77.672; 76.786; 79.175	901.6	Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks CrystEngComm, 2017, 19, 2106
7227864	CIF	C10 H13 O13 S2 Yb3	P -1	7.131; 9.138; 14.261 77.831; 76.835; 79.429	875.5	Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks CrystEngComm, 2017, 19, 2106
7042994	CIF	C10 H13.5 O4.75 Zn	I 1 2/a 1	6.1355; 13.0213; 14.8255 90; 91.798; 90	1183.86	Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks. Dalton Trans., 2017
1546449	CIF	C10 H14 B Cl2 I N4	C m c 21	10.8977; 12.4002; 11.6286 90; 90; 90	1571.42	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
7042235	CIF	C10 H14 Br2 Hg N2 O	P 1 21/n 1	11.6676; 8.2857; 15.1174 90; 110.631; 90	1367.74	Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J. Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3579-3587
1545928	CIF	C10 H14 Cl N O	P 21 21 21	4.7337; 6.2908; 33.7597 90; 90; 90	1005.32	Wei, Yi; Zhang, Heng-Xia; Zeng, Jun-Liang; Nie, Jing; Ma, Jun-An Organocatalytic Asymmetric Decarboxylative Amination of β-Keto Acids: Access to Optically Active α-Amino Ketones and 1,2-Amino Alcohols. Organic letters, 2017, 19, 2162-2165
2242131	CIF HKL Paper	C10 H14 Cl3 N O5	P 1 21 1	5.8494; 12.6458; 9.5658 90; 104.763; 90	684.23	Oishi, Takeshi; Kidena, Mayu; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka Crystal structure of (‒)-methyl (<i>R</i>,<i>E</i>)-4-[(2<i>R</i>,4<i>R</i>)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate Acta Crystallographica Section E, 2017, 73, 983-986
7042240	CIF	C10 H14 Cl4 Hg2 N2 O	P 1 21/c 1	8.292; 16.703; 11.941 90; 91.668; 90	1653.1	Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J. Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3579-3587
7229142	CIF	C10 H14 Cu I N4	P 1 21/n 1	8.2449; 19.4227; 8.8011 90; 113.635; 90	1291.17	Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M. Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers CrystEngComm, 2017
7229143	CIF	C10 H14 Cu2 I2 N4	P 1 21/c 1	4.3887; 19.267; 8.9217 90; 91.73; 90	754	Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M. Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers CrystEngComm, 2017
7042238	CIF	C10 H14 Hg2 I4 N2 O	P 1 21 1	8.936; 13.151; 9.486 90; 116.655; 90	996.3	Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J. Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3579-3587
8106526	CIF	C10 H14 N2 O	C 1 c 1	6.8354; 13.8221; 10.2905 90; 90.625; 90	972.2	El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M. Crystal structure of 1,1-dimethyl-3-(4-methylphenyl)urea, C10H14N2O Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 329-330
8106510	CIF	C10 H14 N2 O2	P 1 21/c 1	14.9185; 7.7243; 9.2229 90; 91.032; 90	1062.63	El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Hegazy, Amany S.; Kariuki, Benson M. Crystal structure of 1,1-dimethyl-3-(4-methoxyphenyl)urea, C10H14N2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 279-281
2020730	CIF HKL Paper	C10 H14 N2 O4 S	P 1 21/n 1	4.9006; 12.9808; 18.9837 90; 92.978; 90	1205.99	Gomathi, V.; Theivarasu, C. Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine Acta Crystallographica Section C, 2017, 73, 97-103
7056351	CIF	C10 H14 N4	P b c a	11.469; 9.506; 19.52 90; 90; 90	2128.2	Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A. Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion New J. Chem., 2017
4126893	CIF	C10 H14 N4 O4 Zn	I -4 3 m	17.2458; 17.2458; 17.2458 90; 90; 90	5129.2	Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A. Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society, 2017
7119844	CIF	C10 H14 N4 O6	P 21 21 21	7.4674; 10.9703; 13.9309 90; 90; 90	1141.21	Tsanakopoulou, Maria; Xu, Jianfeng; Bond, Andrew D.; Sutherland, John D. A new and potentially prebiotic α-cytidine derivative. Chemical communications (Cambridge, England), 2017, 53, 3327-3329
7228087	CIF	C10 H14 N6	P 1 21/n 1	7.0888; 14.392; 10.586 90; 97.4; 90	1071	Yuan, Yutao; Zhang, Yanqiang; Liu, Long; Jiao, Nianming; Dong, Kun; Zhang, Suojiang Bicyclic ammonium ionic liquids as dense hypergolic fuels RSC Adv., 2017, 7, 21592
7055884	CIF	C10 H14 N7 O7 V	P 1 21/c 1	9.2182; 11.9215; 14.0719 90; 98.587; 90	1529.09	Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study New J. Chem., 2017, 41, 735
4126568	CIF	C10 H15 B F3 N	P 1 21/n 1	7.546; 12.6; 11.855 90; 105.288; 90	1087.3	Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation. Journal of the American Chemical Society, 2017
1547647	CIF	C10 H15 B O3	P -1	5.0709; 7.6864; 13.7993 87.907; 85.499; 74.195	515.86	Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017
4126078	CIF	C10 H15 B10 N O2	P 1 21/n 1	11.5496; 6.8211; 18.6932 90; 94.936; 90	1467.21	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126079	CIF	C10 H15 B10 N O2	P 1 21/c 1	7.0828; 7.5414; 27.6234 90; 96.54; 90	1465.88	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126080	CIF	C10 H15 B10 N O2	P 1 21/n 1	6.8825; 34.5844; 12.4876 90; 93.418; 90	2967.1	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
7236620	CIF	C10 H15 I3 N Pb	P -4 21 c	22.156; 22.156; 8.111 90; 90; 90	3982	Wang, Guan-E; Yao, Ming-Shui; Cai, Min-Lan; Xiu, Jing-Wei; Li, Yan-Zhou; Xu, Gang; Guo, Guo-Cong Constructing semiconductive crystalline microporous materials by Coulomb interactions Journal of Materials Chemistry A, 2017, 5, 18409
4345485	CIF	C10 H15 Mo O2 P	P 1 21/c 1	8.4275; 12.152; 12.291 90; 104.671; 90	1217.7	Neary, Michelle C.; Parkin, Gerard Reactivity of Cyclopentadienyl Molybdenum Compounds towards Formic Acid: Structural Characterization of CpMo(PMe3)(CO)2H, CpMo(PMe3)2(CO)H, [CpMo(μ-O)(μ-O2CH)]2, and [Cp*Mo(μ-O)(μ-O2CH)]2. Inorganic chemistry, 2017, 56, 1511-1523
4033289	CIF	C10 H15 N O3	P 1 21/n 1	9.1273; 9.0984; 13.1203 90; 109.613; 90	1026.35	Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J. A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry. The Journal of organic chemistry, 2017
4125729	CIF	C10 H15 N O3	P 21 21 21	6.7401; 11.1362; 13.6362 90; 90; 90	1023.52	Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J. Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands. Journal of the American Chemical Society, 2017, 139, 1412-1415
4033040	CIF	C10 H15 N O4	P -1	5.5617; 9.7074; 10.4167 88.569; 85.582; 77.614	547.65	Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties. The Journal of organic chemistry, 2017, 82, 12863-12868
1545307	CIF HKL Paper	C10 H15 N O5	P 21 21 21	5.514; 12.418; 15.372 90; 90; 90	1052.6	Gao, Min; Lu, Li-Ping 3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate IUCrData, 2017, 2, x170271
7155785	CIF	C10 H15 N O5	P n a 21	13.0145; 7.79931; 10.8094 90; 90; 90	1097.2	Kubyshkin, Vladimir; Budisa, Nediljko Amide rotation trajectories probed by symmetry Org. Biomol. Chem., 2017
7155786	CIF	C10 H15 N O5	P 1 21/c 1	7.8936; 13.18; 11.2852 90; 104.484; 90	1136.77	Kubyshkin, Vladimir; Budisa, Nediljko Amide rotation trajectories probed by symmetry Org. Biomol. Chem., 2017
8106637	CIF	C10 H15 N3 O2	P 1 21/n 1	10.9501; 9.2193; 11.2149 90; 103.648; 90	1100.2	Wang, Kun-Yan; Yang, Xiao-Li The crystal structure of tert-butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, C10H15N3O2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 669-670
1545180	CIF	C10 H15.5 N4 O6.75 S	P 1	8.0883; 10.9716; 16.0771 72.07; 80.273; 86.279	1337.78	Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science, 2017, 8, 2983-2993
8106588	CIF	C10 H16	P 21 21 21	4.4804; 11.7784; 16.7613 90; 90; 90	884.53	Benda, Christian; Klein, Wilhelm; Fässler, Thomas F. Crystal structure of 1,2,3,4,5-pentamethyl-1,3-cyclopentadiene, C10H16 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 511-512
7041995	CIF	C10 H16 B F2 Li N8 O2	P -1	8.1367; 9.2057; 11.0783 107.287; 101.5; 97.456	760.4	Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3014-3024
1545449	CIF	C10 H16 B10 N2	P 1 21/n 1	7.5719; 20.281; 10.3153 90; 95.029; 90	1578	Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes. Organic letters, 2017, 19, 862-865
7055976	CIF	C10 H16 Br2 Cl3 Fe N4 O	P b c n	23.654; 8.738; 8.595 90; 90; 90	1776.5	Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G. Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides New J. Chem., 2017, 41, 2220
4349691	CIF	C10 H16 Cl N O W	P 1 21 1	6.0476; 7.3129; 14.2223 90; 97.885; 90	623.04	Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot Selective ethylene oligomerisation using supported tungsten mono-imido catalysts Inorganic Chemistry Frontiers, 2017, 4, 1048
7042371	CIF	C10 H16 Cl2 Si2	P 1 21/n 1	6.4554; 10.2475; 10.4165 90; 96.7; 90	684.36	Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C Synthesis of heteroatomic bridged paracyclophanes. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4530-4541
7055983	CIF	C10 H16 Cl5 Fe N4 O	C 1 2/c 1	24.487; 8.7651; 8.5302 90; 110.281; 90	1717.3	Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G. Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides New J. Chem., 2017, 41, 2220
2108127	CIF HKL	C10 H16 Co N0 O12	P -1	5.5872; 6.6969; 10.5753 77.217; 74.884; 70.434	356.02	Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid Acta Crystallographica Section B, 2017, 73, 715-721
7044498	CIF	C10 H16 Cu2 N16 O2	P -1	7.1606; 7.799; 9.722 96.29; 92.89; 113.31	493	Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S. Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies Dalton Trans., 2017
2020692	CIF HKL	C10 H16 Cu2 N8 O7 S4	P 1 21/c 1	7.379; 18.78; 14.702 90; 94.82; 90	2030.2	Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core Acta Crystallographica Section C, 2017, 73, 36-46
4032401	CIF	C10 H16 N2 O3	P -1	7.2069; 7.742; 9.5826 80.466; 79.403; 77.127	507.99	Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides. The Journal of organic chemistry, 2017, 82, 3382-3402
7043889	CIF	C10 H16 N2 O5 Zn	P 21 21 21	7.59; 11.39; 13.99 90; 90; 90	1209.4	Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity Dalton Trans., 2017
7043890	CIF	C10 H16 N2 O5 Zn	P 1 21 1	5.44; 6.07; 19.8 90; 94.836; 90	651.5	Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity Dalton Trans., 2017
4514224	CIF	C10 H16 O2	P 1 21/n 1	5.9454; 23.5638; 6.5353 90; 104.593; 90	886.03	Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives ACS Catalysis, 2017, 7, 7520
4514225	CIF	C10 H16 O2	P 1 21/n 1	6.0866; 21.259; 7.3676 90; 106.814; 90	912.6	Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives ACS Catalysis, 2017, 7, 7520
1547713	CIF	C10 H16 O4	P -1	7.6701; 8.0763; 9.5222 111.724; 96.807; 98.512	532.2	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
1547715	CIF	C10 H16 O4	P 1 21/c 1	6.1819; 19.6642; 8.718 90; 104.247; 90	1027.18	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
4126662	CIF	C10 H16 O4	P 31	12.007; 12.007; 6.4662 90; 90; 120	807.3	Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization. Journal of the American Chemical Society, 2017
7155408	CIF	C10 H17 Cl F6 N2 O6	P 1 21 1	11.0208; 5.0952; 14.7276 90; 103.403; 90	804.48	Kondratov, Ivan S.; Logvinenko, Ivan G.; Tolmachova, Nataliya A.; Morev, Roman N.; Kliachyna, Maria A.; Clausen, Florian; Daniliuc, Constantin G.; Haufe, Günter Synthesis and physical chemical properties of 2-amino-4-(trifluoromethoxy)butanoic acid - a CF3O-containing analogue of natural lipophilic amino acids. Organic & biomolecular chemistry, 2017, 15, 672-679
8106729	CIF	C10 H17 Cl N2 O10 Sn	P 1	6.6666; 6.6892; 8.8779 101.34; 99.624; 91.279	382.09	Fu, Zhihai; Chen, Bo; He, Aidang; Lv, Xia; Wei, Xin; Feng, Xiaojie; Huang, Chao; Xia, ChuanQin; Jin, Yongdong The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 941-942
2311450	CIF Paper	C10 H17 Cl2 Cu N3 O	P 1 21/n 1	6.9667; 24.735; 7.9294 90; 103.693; 90	1327.57	Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo <i>N</i>,<i>N</i>',<i>N</i>'' <i>versus N</i>,<i>N</i>',<i>O</i> imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear Cu<sup>II</sup> compounds. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1563-1567
7056350	CIF	C10 H17 Cl2 N5 Pt	P 1 21/c 1	13.983; 7.6739; 15.073 90; 116.36; 90	1449.2	Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A. Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion New J. Chem., 2017
4514149	CIF	C10 H17 N5 O	P -1	11.5385; 13.156; 17.7901 77.4; 89.452; 64.277	2363.18	Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction. ACS combinatorial science, 2017, 19, 343-350
7059107	CIF	C10 H18 Cl2 N2 O3 Pt S	P 1 21/c 1	7.7751; 15.9278; 13.8379 90; 103.11; 90	1669.02	Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu. Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity New Journal of Chemistry, 2017, 41, 6840
8106468	CIF	C10 H18 Cl4 Co N2 O	P 21 21 21	7.0057; 7.4317; 29.251 90; 90; 90	1522.93	Reiss, Guido J.; Sergeeva, Alena The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C10H18Cl4CoN2O Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 159-161
7044780	CIF	C10 H18 F3 Ga7 N2 O28 P6	P -1	10.226818; 12.095846; 13.867132 104.653; 100.811; 102.523	1565.84	Broom, Lucy; Clarkson, Guy J.; Guillou, Nathalie; Hooper, Joseph; Dawson, Daniel; Tang, Chiu; Ashbrook, Sharon Elizabeth; Walton, Richard I. A Gel Aging Effect in the Synthesis of Open-Framework Gallium Phosphates: Structure Solution and Solid-State NMR of a Large-Pore, Open-Framework Material Dalton Transactions, 2017
7155973	CIF	C10 H18 F3 N O S	P 31	9.6709; 9.6709; 12.3901 90; 90; 120	1003.55	Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines Organic & Biomolecular Chemistry, 2017
7041303	CIF	C10 H18 N2 O12.5 P4 Zn3	R -3 :H	33.1915; 33.1915; 13.3206 90; 90; 120	12708.9	Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein A highly flexible inorganic framework with amphiphilic amine assemblies as templates. Dalton transactions (Cambridge, England : 2003), 2017, 46, 364-368
7119569	CIF	C10 H18 N2 O4 S	P 21 21 21	6.714; 6.7632; 27.8703 90; 90; 90	1265.54	Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates. Chemical communications (Cambridge, England), 2017, 53, 2064-2067
7043558	CIF	C10 H18 N8 Ni O2	P -1	6.7068; 6.7518; 7.8797 75.399; 81.175; 81.118	338.7	Bikbaeva, Zarina M.; Novikov, Alexander S.; Suslonov, Vitalii V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu. Metal-mediated Reactions between Dialkylcyanamides and Acetamidoxime Generate Unusual (Nitrosoguanidinate)Nickel(II) Complexes Dalton Trans., 2017
2242123	CIF HKL Paper	C10 H18 O2	P 1 21 1	6.3121; 10.5611; 7.9925 90; 112.126; 90	493.57	Collis, Gavin E.; Unterweger, Birgit; Dumsday, Geoff J.; Forsyth, Craig M. Structural elucidation of a hydroxy‒cineole product obtained from cytochrome P450 monooxygenase CYP101J2 catalysed transformation of 1,8-cineole Acta Crystallographica Section E, 2017, 73, 1242-1245
1546123	CIF	C10 H18 O4	P 21 21 2	19.296; 8.0943; 6.9478 90; 90; 90	1085.16	Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng Bioactive Glycosides from the Twigs of Litsea cubeba. Journal of natural products, 2017, 80, 1808-1818
7042373	CIF	C10 H18.3 P2 Si2	P 1 21/n 1	6.5882; 10.5545; 10.6184 90; 95.877; 90	734.47	Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C Synthesis of heteroatomic bridged paracyclophanes. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4530-4541
7041423	CIF	C10 H19 B10 I	P 1 21/n 1	7.753; 17.9867; 11.8559 90; 98.493; 90	1635.19	Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2091-2104
1547262	CIF	C10 H19 B10 N O2	P -1	7.708; 7.8648; 14.246 105.133; 90.39; 110.375	776.9	Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane. Organic letters, 2017, 19, 5178-5181
2311435	CIF Paper	C10 H19 Cl2 Cu N7 O3 S	P 1 21/c 1	11.42069; 7.23911; 21.699 90; 103.154; 90	1746.91	Moyaert, Tristen E.; Paul, Christina; Chen, Weibin; Sarjeant, Amy A.; Dawe, Louise N. Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1534-1538
7120417	CIF	C10 H19 N7 O2	P 1 21/n 1	5.0454; 14.2329; 18.305 90; 91.205; 90	1314.2	Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D. Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate Chem. Commun., 2017
7044519	CIF	C10 H20 Au Cl N2 O2	P 1 21/c 1	12.0876; 9.4395; 13.5065 90; 114.107; 90	1406.7	Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals Dalton Trans., 2017
4126073	CIF	C10 H20 B10 O	P -1	11.7531; 14.5081; 20.6459 104.277; 99.855; 110.189	3072.4	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126074	CIF	C10 H20 B10 O	P 1 21/c 1	11.0205; 18.651; 7.7745 90; 103.99; 90	1550.6	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126075	CIF	C10 H20 B10 O	P -1	11.895; 15.005; 20.362 105.498; 99.46; 110.281	3149.5	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126076	CIF	C10 H20 B10 O	P 21 21 21	7.834; 13.872; 14.386 90; 90; 90	1563.37	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126077	CIF	C10 H20 B10 O	P 1 21/n 1	8.6489; 13.1773; 13.8649 90; 94.794; 90	1574.64	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
7042147	CIF	C10 H20 B2 O4	R -3 m :H	8.8506; 8.8506; 13.7909 90; 90; 120	935.6	Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B. B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3661-3680
7042148	CIF	C10 H20 B2 O4	R -3 c :H	8.8311; 8.8311; 27.5396 90; 90; 120	1860.02	Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B. B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3661-3680
7042149	CIF	C10 H20 B2 O4	P 1 21/n 1	15.2894; 8.7342; 19.2066 90; 105.807; 90	2467.9	Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B. B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3661-3680
4345666	CIF	C10 H20 Br Ge N O3	P 21 21 21	9.0471; 11.6291; 12.3359 90; 90; 90	1297.86	Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus Introducing Stereogenic Centers to Group XIV Metallatranes. Inorganic chemistry, 2017
7041417	CIF	C10 H20 Co N2 Na2 O12	P 1 21/n 1	8.9539; 10.1298; 18.8815 90; 98.901; 90	1691.95	Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1290-1296
7041585	CIF	C10 H20 Cu I N4 S2	P 1 21/c 1	8.6359; 7.3154; 26.753 90; 95.591; 90	1682.1	Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P. Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1324-1339
4125865	CIF	C10 H20 N2 O S4 V	P 1 21/c 1	12.7241; 13.8775; 9.4376 90; 105.076; 90	1609.12	Atzori, Matteo; Tesi, Lorenzo; Benci, Stefano; Lunghi, Alessandro; Righini, Roberto; Taschin, Andrea; Torre, Renato; Sorace, Lorenzo; Sessoli, Roberta Spin Dynamics and Low Energy Vibrations: Insights from Vanadyl-Based Potential Molecular Qubits. Journal of the American Chemical Society, 2017, 139, 4338-4341
7229249	CIF	C10 H20 N2 O14 P4 Zn3	A e a 2	10.2729; 18.1781; 10.7119 90; 90; 90	2000.36	Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings CrystEngComm, 2017
7041996	CIF	C10 H20 N2 O2 Si2	P b c a	11.2602; 11.054; 23.4337 90; 90; 90	2916.8	Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3014-3024
4125573	CIF	C10 H20 N2 Se	P b c a	11.4233; 10.80265; 18.95402 90; 90; 90	2338.96	Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305
7227809	CIF	C10 H20 N8 O18 S2 Zr	P -1	10.077; 10.81; 11.116 78.14; 89.23; 86.71	1183.1	Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations CrystEngComm, 2017, 19, 1633
4126564	CIF	C10 H20 O18 P4 Pr	P 1 21/c 1	5.964; 18.27; 18.965 90; 95.62; 90	2056.5	Wong, Norman E.; Ramaswamy, Padmini; Lee, Andrew; Gelfand, Benjamin S.; Bladek, Kamila; Taylor, Jared M.; Spasyuk, Denis; Shimizu, George K. H. Tuning Intrinsic and Extrinsic Proton Conduction in Metal-Organic Frameworks by the Lanthanide Contraction. Journal of the American Chemical Society, 2017
7228097	CIF	C10 H22 Cr K N2 O12	R -3 :H	8.5676; 8.5676; 23.7293 90; 90; 120	1508.46	Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine Phys. Chem. Chem. Phys., 2017
7228099	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.0147; 9.8547; 12.3886 90; 90.052; 90	978.48	Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine Phys. Chem. Chem. Phys., 2017
7119941	CIF	C10 H22 Cr2 K6 Mo12 O63	P -1	13.6143; 15.9636; 17.0731 110.894; 105.094; 98.427	3226.9	Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose Chem. Commun., 2017
7055945	CIF	C10 H22 N4 O6 Zn	P 1 21/c 1	14.998; 8.7997; 23.691 90; 148.87; 90	1616	Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu. Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles New J. Chem., 2017, 41, 1940
1556545	CIF	C10 H22 O5 Si2	P 1 21/c 1	11.5359; 6.7079; 10.1493 90; 115.83; 90	706.9	Kahr, J.; Belaj, F.; Pietschnig, R. Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol Inorganics, 2017, 5, 66
1556546	CIF	C10 H22 O5 Si2	C m c e	10.1476; 20.7484; 6.7022 90; 90; 90	1411.12	Kahr, J.; Belaj, F.; Pietschnig, R. Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol Inorganics, 2017, 5, 66
4345662	CIF	C10 H23 N O3	P 21 21 21	6.4338; 13.1595; 14.176 90; 90; 90	1200.22	Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus Introducing Stereogenic Centers to Group XIV Metallatranes. Inorganic chemistry, 2017
7120634	CIF	C10 H24 Br2 Cl5 N2 O7 Pu	P -1	8.4714; 12.6613; 13.5401 68.172; 75.764; 71.127	1262.6	Surbella III, Robert Gian; Ducati, Lucas C.; Pellegrini, Kristi Lynn; McNamara, Bruce Kevin; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Chris A new Pu(III) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5] · 2Cl · 2H2O as obtained via supramolecular assembly in aqueous, high chloride media Chem. Commun., 2017
8106465	CIF	C10 H24 Br2 N4 Ni	P 1 21/c 1	6.9551; 12.6275; 8.7343 90; 109.117; 90	724.79	Ha, Kwang Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C10H24Br2N4Ni Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 153-154
7229541	CIF	C10 H24 Br4 Cd N2	P b c a	12.421; 13.319; 24.209 90; 90; 90	4005	Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals RSC Advances, 2017, 7, 52024
7044590	CIF	C10 H24 Cl2 Co N5 O10	P 1 21/n 1	11.0729; 22.0794; 16.0254 90; 106.001; 90	3766.14	Green, Bradley; Renfrew, Anna; Glenister, Alexandra; Turner, Peter; Hambley, Trevor The influence of the ancillary ligand on the potential of cobalt(III) complexes to act as chaperones for hydroxamic acid-based drugs Dalton Transactions, 2017
7041955	CIF	C10 H24 Cl2 N6 Ni O8	C m c 21	31.9793; 10.8558; 11.0677 90; 90; 90	3842.3	Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P. Modulation of the CO2 fixation in dinickel azacryptands. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5680-5688
7228822	CIF	C10 H24 N O4 P	I 1 2/a 1	17.6894; 6.6145; 23.997 90; 100.392; 90	2761.7	Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates CrystEngComm, 2017
7042639	CIF	C10 H24 N2 Na2 O14 Pd S2	P -1	6.9785; 11.4585; 14.226 80.189; 88.135; 76.622	1090.47	Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners Dalton Trans., 2017
7229539	CIF	C10 H24.05 Br4 Cd N2.05	P b c a	12.409; 13.23; 23.79 90; 90; 90	3906	Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals RSC Advances, 2017, 7, 52024
7042357	CIF	C10 H25 Au B20 Cl P	C 1 2/c 1	17.0588; 14.2499; 20.0698 90; 102.497; 90	4763.1	Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J. Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5218-5228
7042355	CIF	C10 H25 B20 P	P -1	7.1139; 11.4378; 13.3912 81.884; 84.954; 81.231	1063.6	Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J. Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5218-5228
7042358	CIF	C10 H25 B20 P Se	P 1 21/n 1	10.3457; 16.9431; 13.6941 90; 105.612; 90	2311.9	Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J. Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5218-5228
7042437	CIF	C10 H26 Cl4 Mg2 O5	P 1 21/n 1	8.155; 17.8774; 14.0589 90; 103.905; 90	1989.59	Nissinen, V. H.; Koshevoy, I. O.; Pakkanen, T. T. Crystalline magnesium chloride-electron donor complexes: new support materials for Ziegler-Natta catalysts. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4452-4460
4126347	CIF	C10 H26 Cl5 Cr N3	P 1 21/n 1	9.136; 21.185; 10.277 90; 103.143; 90	1937	Murai, Masahito; Taniguchi, Ryuji; Hosokawa, Naoki; Nishida, Yusuke; Mimachi, Hiroko; Oshiki, Toshiyuki; Takai, Kazuhiko Structural Characterization and Unique Catalytic Performance of Silyl Group-Substituted Geminal Dichromiomethane Complexes Stabilized with a Diamine Ligand. Journal of the American Chemical Society, 2017
4345004	CIF	C10 H26 O6 P2 Sn	P -1	5.1656; 8.5955; 9.7592 102.89; 98.888; 91.217	416.63	Shankar, Ravi; Mendiratta, Swati; Singla, Nisha; Kociok-Köhn, Gabriele; Lutter, Michael; Jurkschat, Klaus Reactivity of Elemental Tin and Zinc toward Organophosphonic Acid Dialkyl Esters: A New One-Pot Recipe for the Synthesis of Coordination Assemblies Derived from O-Alkylorganophosphonate Ligands. Inorganic chemistry, 2017, 56, 721-724
4345005	CIF	C10 H26 O6 P2 Sn	P 1 21/n 1	9.8848; 17.298; 10.3074 90; 97.515; 90	1747.3	Shankar, Ravi; Mendiratta, Swati; Singla, Nisha; Kociok-Köhn, Gabriele; Lutter, Michael; Jurkschat, Klaus Reactivity of Elemental Tin and Zinc toward Organophosphonic Acid Dialkyl Esters: A New One-Pot Recipe for the Synthesis of Coordination Assemblies Derived from O-Alkylorganophosphonate Ligands. Inorganic chemistry, 2017, 56, 721-724
1548339	CIF	C10 H27 Al2 N2 O15 P3	P 1 21/c 1	9.2188; 28.76; 9.2188 90; 112.73; 90	2254.4	Jiancong Liu; Ning Wang; Yue Yu; Yan Yan; Hongyue Zhang; Jiyang Li; Jihong Yu Carbon dots in zeolites: A new class of thermally activated delayed fluorescence materials with ultralong lifetimes Science Advances, 2017, 3, 1603171
7120294	CIF	C10 H28 B10 N4	P b c n	10.0069; 13.2066; 14.6031 90; 90; 90	1929.9	Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D. Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane Chem. Commun., 2017
4349732	CIF	C10 H28 Br4 Cd N2	C m c e	8.0554; 33.2382; 8.0623 90; 90; 90	2158.7	Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br) Inorganic Chemistry Frontiers, 2017, 4, 1330
4349730	CIF	C10 H28 Cd Cl4 N2	A e a 2	7.45; 33.85; 7.42 90; 90; 90	1871	Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br) Inorganic Chemistry Frontiers, 2017, 4, 1330
4349731	CIF	C10 H28 Cd Cl4 N2	C m c e	7.5775; 33.673; 7.65 90; 90; 90	1952	Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br) Inorganic Chemistry Frontiers, 2017, 4, 1330
7119999	CIF	C10 H28 Cl8 N2 O2 Zn3	P 1 21/n 1	8.437; 13.02; 11.652 90; 95.695; 90	1274	Patil, Yogesh P.; Kore, Rajkumar; Kelley, Steven Paul; Griffin, Scott T.; Rogers, Robin D. Crystal Structure of Zn(ZnCl4)2(Cho)2: The Transformation of Ions to Neutral Species in a Deep Eutectic System Chem. Commun., 2017
7041418	CIF	C10 H28 Co2 N2 O18	P -1	7.111; 8.3969; 8.7697 90.175; 94.401; 108.143	495.94	Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1290-1296
2020782	CIF HKL Paper	C10 H28 Cu N2 O8	P 1 21/c 1	15.7523; 7.1201; 15.954 90; 112.709; 90	1650.65	Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis Acta Crystallographica Section C, 2017, 73, 517-524
7056740	CIF	C10 H28 Ga2 N2 O2	P 1 21/n 1	6.6946; 10.7516; 11.4183 90; 95.446; 90	818.15	Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł Dialkylgallium alkoxides ‒ a tool for facile and stereoselective synthesis of PLA-drug conjugates New Journal of Chemistry, 2017
8106746	CIF	C10 H28 N2 Pd Se14	P 1 21/c 1	9.4146; 14.3446; 12.4731 90; 113.403; 90	1545.9	Wang, Di; Yun, Hoseop; Kim, Kang-Woo Crystal structure of bis(N,N,N-trimethylethanaminium) poly[bis(μ2-heptaselenido-κ2Se1,Se7)palladate(II)], C10H28N2PdSe14 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 995-997
7042341	CIF	C10 H28 N6 Ni O4	P 1 21/c 1	13.2477; 8.7413; 13.7152 90; 92.087; 90	1587.2	Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3963-3979
1546389	CIF	C10 H3 B F4 K N3 O	P n m a	10.9629; 8.0873; 14.1771 90; 90; 90	1256.95	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017
2020771	CIF HKL	C10 H30 Co N6 O4	P -1	8.3029; 9.1295; 12.7175 71.021; 85.776; 75.146	881.08	Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R. The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn) Acta Crystallographica Section C, 2017, 73, 442-446
2242149	CIF HKL Paper	C10 H30 Cr4 N4 O15	P 1 21/c 1	10.428; 13.961; 15.49 90; 94.671; 90	2247.6	Moon, Dohyun; Choi, Jong-Ha Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data Acta Crystallographica Section E, 2017, 73, 755-758
2020773	CIF HKL	C10 H30 Cu N6 O4	P -1	8.2953; 8.9144; 12.7148 75.244; 85.082; 71.226	860.84	Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R. The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn) Acta Crystallographica Section C, 2017, 73, 442-446
2020770	CIF HKL	C10 H30 Fe N6 O4	P -1	8.3426; 9.1332; 12.8165 70.423; 86.074; 75.628	891.19	Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R. The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn) Acta Crystallographica Section C, 2017, 73, 442-446
2020769	CIF HKL Paper	C10 H30 Mn N6 O4	P -1	8.386; 9.1422; 12.9405 69.526; 87.16; 76.788	904.33	Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R. The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn) Acta Crystallographica Section C, 2017, 73, 442-446
8106728	CIF	C10 H30 N4 O5	P n a 21	18.1934; 7.2548; 11.8168 90; 90; 90	1559.69	Li, Xiaokun; Zhu, Linlin Crystal structure of guanidinium tetraethylammonium carbonate dihydrate, C10H30N4O5 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 939-940
2020772	CIF HKL	C10 H30 N6 Ni O4	P -1	8.2974; 9.0619; 12.5998 71.96; 85.204; 74.321	867.3	Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R. The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn) Acta Crystallographica Section C, 2017, 73, 442-446
2020774	CIF HKL	C10 H30 N6 O4 Zn	P -1	8.3223; 9.1059; 12.7492 70.855; 85.8; 75.434	883.34	Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R. The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn) Acta Crystallographica Section C, 2017, 73, 442-446
7120000	CIF	C10 H32 Cl8 N2 O4 Zn3	P 1 21/c 1	7.617; 13.788; 13.087 90; 104.365; 90	1331.5	Patil, Yogesh P.; Kore, Rajkumar; Kelley, Steven Paul; Griffin, Scott T.; Rogers, Robin D. Crystal Structure of Zn(ZnCl4)2(Cho)2: The Transformation of Ions to Neutral Species in a Deep Eutectic System Chem. Commun., 2017
7229066	CIF	C10 H33 N3 O10 P2	P -1	7.0822; 16.2842; 16.4233 89.909; 82.523; 87.458	1876.1	Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B. Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid. CrystEngComm, 2017
7229058	CIF	C10 H33 N3 O9 P2	P 21 21 21	7.116; 13.6637; 19.0629 90; 90; 90	1853.5	Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B. Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid. CrystEngComm, 2017
7229061	CIF	C10 H39 N13 O14 P2	P 1 21/c 1	16.4593; 12.5327; 12.4717 90; 91.612; 90	2571.64	Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B. Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid. CrystEngComm, 2017
7227502	CIF	C10 H4 Ag B Br4 F4 N2	P 1 21/c 1	8.3296; 12.7403; 14.5548 90; 92.654; 90	1542.92	Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V. Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials RSC Adv., 2017, 7, 7358
7227510	CIF	C10 H4 Ag Br4 N3 O3	P 1 21/c 1	7.40984; 12.03342; 16.56423 90; 94.4891; 90	1472.43	Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V. Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials RSC Adv., 2017, 7, 7358
7227506	CIF	C10 H4 Ag Cl4 N3 O3	P 1 21/c 1	7.1747; 11.7418; 16.5245 90; 92.237; 90	1391.03	Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V. Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials RSC Adv., 2017, 7, 7358
7044286	CIF	C10 H4 N16 O20	P 1 21/c 1	17.477; 6.0354; 21.647 90; 94.787; 90	2275.4	Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities Dalton Trans., 2017
4038947	CIF	C10 H4 N4 S2	P 1 21/c 1	7.8092; 17.4192; 6.8514 90; 95.335; 90	927.96	Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045
2020818	CIF HKL	C10 H4 O9 Sr2	C 1 2/c 1	8.1694; 17.2478; 7.7689 90; 97.521; 90	1085.25	Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies Acta Crystallographica Section C, 2017, 73, 369-375
4032479	CIF	C10 H5 Cl F5 N5	P 1 21/c 1	18.65; 5.121; 14.299 90; 112.07; 90	1265.6	Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles. The Journal of organic chemistry, 2017
4032995	CIF	C10 H5 Cl3 N2 O	P 1 21/c 1	8.0101; 19.8721; 7.4121 90; 111.141; 90	1100.43	Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko Elucidation of the E-Amide Preference of N-Acyl Azoles. The Journal of organic chemistry, 2017, 82, 11370-11382
7227509	CIF	C10 H6 Ag Br2 I2 N3 O4	C 1 2/c 1	21.9475; 7.8051; 19.9629 90; 107.285; 90	3265.26	Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V. Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials RSC Adv., 2017, 7, 7358
7227511	CIF	C10 H6 Ag Cl2 I2 N3 O4	P -1	7.0404; 11.1885; 11.4664 69.987; 76.954; 75.036	810.46	Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V. Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials RSC Adv., 2017, 7, 7358
4345641	CIF	C10 H6 Ag4 N16 O2	P -1	9.6529; 9.6649; 10.875 89.02; 80.84; 64.5	902.6	Huang, Chao; Han, Xiao; Shao, ZhiChao; Gao, Kuan; Liu, Mengjia; Wang, Yanjie; Wu, Jie; Hou, Hongwei; Mi, Liwei Solvent-Induced Assembly of Sliver Coordination Polymers (CPs) as Cooperative Catalysts for Synthesizing of Cyclopentenone[b]pyrroles Frameworks. Inorganic chemistry, 2017, 56, 4874-4884
4345642	CIF	C10 H6 Ag4 N16 O3	C 1 2/c 1	11.402; 19.497; 9.3008 90; 111.99; 90	1917.2	Huang, Chao; Han, Xiao; Shao, ZhiChao; Gao, Kuan; Liu, Mengjia; Wang, Yanjie; Wu, Jie; Hou, Hongwei; Mi, Liwei Solvent-Induced Assembly of Sliver Coordination Polymers (CPs) as Cooperative Catalysts for Synthesizing of Cyclopentenone[b]pyrroles Frameworks. Inorganic chemistry, 2017, 56, 4874-4884
7227444	CIF	C10 H6 Br2	P b c a	11.692; 7.545; 20.193 90; 90; 90	1781.3	Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern RSC Adv., 2017, 7, 2780
8106501	CIF	C10 H6 Br2 O4 S2	P 1 21/c 1	8.1199; 10.443; 15.4252 90; 96.309; 90	1300.08	Mabkhot, Yahia N.; Al-aizari, Faiz A.; Al-Showiman, Salim; Barakat, Assem; Ghabbour, Hazem A.; Frey, Wolfgang Crystal structure of 1,1,(3,4-dihydroxythieno[2,3-b] thiophene-2,5-diyl)bis(2-bromoethanone), C10H6Br2O4S2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 255-256
7227445	CIF	C10 H6 Cl2	P b c a	11.631; 7.417; 19.691 90; 90; 90	1698.7	Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern RSC Adv., 2017, 7, 2780
4032805	CIF	C10 H6 F3 N3 O2	P 1 21/c 1	7.8683; 11.5556; 11.5585 90; 96.3412; 90	1044.5	Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872
7044292	CIF	C10 H6 N14 O16	P 1 21/n 1	6.0094; 29.742; 6.0976 90; 114.883; 90	988.7	Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities Dalton Trans., 2017
4131798	CIF	C10 H6 N2 S2	P 1 21/c 1	11.3068; 7.0845; 23.268 90; 96.544; 90	1851.7	Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex. Journal of the American Chemical Society, 2017, 139, 18484-18487
4032793	CIF	C10 H6 N4 O2	P 1 21/n 1	3.7941; 13.5676; 18.5776 90; 90.69; 90	956.25	Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872
4032794	CIF	C10 H6 N4 O2	P 1 21/c 1	11.9915; 14.3694; 11.2447 90; 102.04; 90	1894.96	Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872
1547530	CIF	C10 H7 Br N2 O	P 1 21/n 1	7.1898; 19.2245; 7.5937 90; 113.318; 90	963.87	Wang, Qing-Qing; Xu, Kun; Jiang, Yang-Ye; Liu, Yong-Guo; Sun, Bao-Guo; Zeng, Cheng-Chu Electrocatalytic Minisci Acylation Reaction of N-Heteroarenes Mediated by NH4I. Organic letters, 2017, 19, 5517-5520
1546678	CIF HKL Paper	C10 H7 Br2 N O	P 1 21/c 1	16.158; 3.996; 17.551 90; 115.316; 90	1024.4	Çelik, Ísmail; Ökten, Salih; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Çakmak, Osman; Özbakır, Rana 5,7-Dibromo-8-methoxyquinoline IUCrData, 2017, 2, x170643
7041594	CIF	C10 H7 Cl Cu2 N6	P 1 21/c 1	11.3145; 10.5385; 9.4292 90; 103.942; 90	1091.2	Tang, Qiuling; Zhou, Jian; Almeida Paz, Filipe A.; Fu, Lianshe; Xiao, Hong; Zhou, Qi; Li, Ju A novel 3-D photoluminescent cuprous chloride polymer based on bifunctional imidazolate/tetrazolate bridges. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1372-1376
8106665	CIF	C10 H7 Cl N2	P 1 21/n 1	7.582; 11.059; 10.734 90; 99.661; 90	887.3	Li, Hong-Mei; Lou, Xin-Hua Crystal structure of 4-chloro-6-phenylpyrimidine, C10H7ClN2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 753-754
7041513	CIF	C10 H7 Cl N2 O S	P 1 21/c 1	14.7035; 3.79321; 17.8136 90; 92.866; 90	992.28	Sagar, Shipra; Sengupta, Swaraj; Mota, Antonio J.; Chattopadhyay, Shyamal K.; Espinosa Ferao, Arturo; Riviere, Eric; Lewis, William; Naskar, Subhendu Cubane-like tetranuclear Cu(ii) complexes bearing a Cu4O4 core: crystal structure, magnetic properties, DFT calculations and phenoxazinone synthase like activity. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1249-1259
1545200	CIF	C10 H7 Cl O3	P n a 21	16.6863; 4.1596; 12.8685 90; 90; 90	893.18	Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel α-Glucosidase Inhibitors from Malbranchea flavorosea. Journal of natural products, 2017, 80, 190-195
7043151	CIF	C10 H7 Cu N O5	R -3 m	18.604; 18.604; 37.123 90; 90; 120	11127	Gupta, Anoop K.; De, Dinesh; Bharadwaj, Parimal K. A NbO type Cu(II) metal‒organic framework showing efficient catalytic activity in Friedländer and Henry reactions Dalton Trans., 2017
7236346	CIF	C10 H7 Cu N O5	R -3 m :H	18.542; 18.542; 37.5167 90; 90; 120	11170.4	Zhang, Mingxing; Chen, Cong; Wang, Qian; Fu, Wensheng; Huang, Kunlin; Zhou, Wei A metal‒organic framework functionalized with piperazine exhibiting enhanced CH4 storage Journal of Materials Chemistry A, 2017, 5, 349
2242139	CIF HKL Paper	C10 H7 F N6 O8	P b c a	7.7463; 13.235; 25.642 90; 90; 90	2628.9	Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D. Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate Acta Crystallographica Section E, 2017, 73, 361-364
7155752	CIF	C10 H7 F3 N2	P -1	9.9013; 9.9393; 21.0212 80.533; 87.495; 89.524	2038.6	Peng, Xiansha; Huang, Danfeng; Wang, Ke-Hu; Wang, Yalin; Wang, Juanjuan; Su, Yingpeng; Hu, Yulai Synthesis of Trifluoromethylated Pyrazolidines by [3+2] Cycloaddition Org. Biomol. Chem., 2017
7228934	CIF	C10 H7 F8 I4 N O	P 21 21 21	16.0396; 18.4264; 20.1968 90; 90; 90	5969.2	Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari Tridentate C‒I⋯O−‒N+ halogen bonds CrystEngComm, 2017
2242271	CIF HKL Paper	C10 H7 N O2 S	P 1 21/n 1	7.3948; 9.4609; 13.5183 90; 95.771; 90	941	Nason, Trevor R.; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D. Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(<i>E</i>)-styryl]-1,3,4-oxathiazol-2-one Acta Crystallographica Section E, 2017, 73, 1298-1301
1560424	CIF	C10 H7 N3 O3 S Zn	C 1 2/c 1	15.9369; 9.4915; 14.7569 90; 104.629; 90	2159.8	Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties Journal of Solid State Chemistry, 2017, 252, 72-85
2311088	CIF	C10 H8	P 1 21/c 1	7.8248; 5.9349; 8.0997 90; 114.441; 90	342.438	Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114
2311090	CIF	C10 H8	P 1 21/c 1	7.808; 5.943; 8.097 90; 114.4; 90	342.2	Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114
7227749	CIF	C10 H8 Br2 Hg N2 S2	C 1 2/c 1	13.3831; 10.0721; 11.1876 90; 90.401; 90	1508	Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide CrystEngComm, 2017, 19, 1974
2311930	CIF Paper	C10 H8 Br4 Cl4 Co N2	P -1	8.8698; 13.4808; 17.2853 79.5702; 78.4951; 76.8616	1952.3	Wang, Ai; Englert, Ulli N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 803-809
2311929	CIF Paper	C10 H8 Br4 Cl4 N2 Zn	P -1	8.8739; 13.469; 17.284 79.539; 78.468; 76.968	1951.7	Wang, Ai; Englert, Ulli N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 803-809
7155462	CIF	C10 H8 Cl N O4	P 21 21 21	5.5571; 5.6305; 32.3624 90; 90; 90	1012.6	Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction. Organic & biomolecular chemistry, 2017, 15, 1530-1536
4516907	CIF	C10 H8 Cl N3 O4 S	P -1	7.0003; 8.2219; 10.5516 85.243; 78.471; 79.703	584.77	Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R. Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds. ACS omega, 2017, 2, 7146-7162
4345244	CIF	C10 H8 Cl2 Co N2	P -1	8.2216; 8.2816; 8.6557 109.175; 106.609; 92.519	527.21	Liu, Jia-Jia; Jiang, Shang-Da; Neugebauer, Petr; van Slageren, Joris; Lan, Yanhua; Wernsdorfer, Wolfgang; Wang, Bing-Wu; Gao, Song Magnetic and HFEPR Studies of Exchange Coupling in a Series of μ-Cl Dicobalt Complexes. Inorganic chemistry, 2017, 56, 2417-2425
7227750	CIF	C10 H8 Cl2 Hg N2 S2	C 1 2/c 1	12.9022; 9.8132; 11.2707 90; 93.389; 90	1424.5	Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide CrystEngComm, 2017, 19, 1974
2311928	CIF Paper	C10 H8 Cl8 N2 Zn	P -1	8.6181; 12.8068; 16.7622 85.5267; 79.0539; 80.1701	1787.7	Wang, Ai; Englert, Ulli N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 803-809
4126161	CIF	C10 H8 F3 N O2	P 1 21 1	8.0948; 6.72581; 9.5368 90; 110.999; 90	484.74	Tinoco, Antonio; Steck, Viktoria; Tyagi, Vikas; Fasan, Rudi Highly Diastereo- and Enantioselective Synthesis of Trifluoromethyl-Substituted Cyclopropanes via Myoglobin-Catalyzed Transfer of Trifluoromethylcarbene. Journal of the American Chemical Society, 2017, 139, 5293-5296
1545970	CIF	C10 H8 F3 N O2 S	P -1	7.4533; 8.8064; 9.0773 74.195; 68.403; 81.369	532.21	Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677
1548153	CIF	C10 H8 F3 N4 Na O	P 1 21/n 1	16.0906; 8.8916; 16.8789 90; 94.97; 90	2405.8	Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713
7227428	CIF	C10 H8 Fe2 O6 S2	P -1	9.4793; 11.192; 15.6287 91.437; 101.32; 113.66	1479.2	Zhang, Xia; Zhang, Tianyong; Li, Bin; Zhang, Guanghui; Hai, Li; Ma, Xiaoyuan; Wu, Wubin Direct synthesis of phenol by novel [FeFe]-hydrogenase model complexes as catalysts of benzene hydroxylation with H2O2 RSC Adv., 2017, 7, 2934
7227751	CIF	C10 H8 Hg I2 N2 S2	C 1 2/c 1	13.9527; 10.2881; 10.9667 90; 94.445; 90	1569.5	Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide CrystEngComm, 2017, 19, 1974
7055972	CIF	C10 H8 N14 O10	P -1	7.6518; 7.7243; 9.0083 95.49; 106.941; 117.039	437.09	Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials New J. Chem., 2017, 41, 1918
7229535	CIF	C10 H8 N2	C 1 2/c 1	13.842; 9.396; 7.518 90; 119.209; 90	853.5	Wang, Wenmin; Sun, Xiaoyang; Qu, Jian; Xie, Xiaoyu; Qi, Zheng-Hang; Hong, Daocheng; Jing, Su; Zheng, Dong; Tian, Yuxi; Ma, Haibo; Yu, Shouyun; Ma, Jing Aggregation-Induced Visible Light Absorption Makes Reactant 1,2-Diisocyanoarenes Acting as Photosensitizer in Double Radical Isocyanide Insertions Physical Chemistry Chemical Physics, 2017
7056439	CIF	C10 H8 N2 O	P 1 21/c 1	10.498; 11.412; 17.061 90; 114.079; 90	1866.1	Narendar Reddy, Thatikonda; raktani, bikshapathi; Perla, Ramesh; Ravinder, Mettu; Vaidya, Jayathirtha Rao; Nanubolu, Jagadeesh Babu An efficient catalyst-free one-pot synthesis of primary amides from aldehydes of Baylis-Hillman Reaction New J. Chem., 2017
7236717	CIF	C10 H8 N2 O	P -1	7.1417; 7.854; 8.9569 72.724; 74.137; 68.176	437.76	Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups Journal of Materials Chemistry C, 2017, 5, 5183
4032402	CIF	C10 H8 N2 O2 S	P -1	4.5638; 7.0494; 15.476 95.825; 95.748; 99.306	485.3	McCaw, Patrick G.; Buckley, Naomi M.; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G. Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow. The Journal of organic chemistry, 2017, 82, 3666-3679
7155441	CIF	C10 H8 N2 O3	P c a 21	19.17; 5.9569; 7.7612 90; 90; 90	886.3	Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates. Organic & biomolecular chemistry, 2017, 15, 1381-1392
7120442	CIF	C10 H8 N2 Se2	C 1 c 1	5.9696; 36.72; 10.2124 90; 95.401; 90	2228.7	Huynh, Huu-Tri; Jeannin, Olivier; Fourmigué, Marc Organic selenocyanates as strong and directional chalcogen bond donors for crystal engineering Chem. Commun., 2017
1545308	CIF HKL Paper	C10 H8 N6	P 1 21/c 1	3.8091; 10.2616; 11.9768 90; 96.165; 90	465.44	Du, Ran; Meng, Li; Lu, Li-Ping 1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene IUCrData, 2017, 2, x170272
1547306	CIF	C10 H8 O2	P b c n	9.49; 11.322; 7.377 90; 90; 90	792.6	Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C. Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors Polym. Chem., 2017
2108124	CIF HKL Paper	C10 H8 O8 Zn	C 1 2/c 1	15.3546; 5.8885; 11.9905 90; 100.762; 90	1065.06	Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid Acta Crystallographica Section B, 2017, 73, 715-721
4126840	CIF	C10 H8 P2	I 1 2/a 1	14.908; 8.201; 15.681 90; 113.69; 90	1755.6	Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr Dealkanative Main Group Couplings Across the peri-Gap. Journal of the American Chemical Society, 2017
1545026	CIF	C10 H8 S2	P 1 21/c 1	5.81321; 7.5432; 10.2777 90; 93.249; 90	449.95	Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci., 2017, 8, 2629
7236466	CIF	C10 H9 Au Cl2 N2	P b c a	15.0499; 7.55959; 19.0308 90; 90; 90	2165.15	von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue–blue green phosphorescence emitters Journal of Materials Chemistry C, 2017, 5, 3765
1545708	CIF	C10 H9 B F3 N O Te	P 1 21/n 1	8.027; 7.1053; 19.994 90; 95.552; 90	1135	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017
7119213	CIF	C10 H9 Cl N2 O4 S	P 1 21/c 1	11.8316; 14.0713; 7.0351 90; 96.718; 90	1163.2	Tan, Davin; Friščić, Tomislav Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion. Chemical communications (Cambridge, England), 2017, 53, 901-904
2242170	CIF HKL	C10 H9 Cl N4 O S	P 21 21 21	6.2584; 10.1734; 18.7183 90; 90; 90	1191.78	Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Kickofel, Lisliane; de Farias, Renan Lira; de Oliveira, Adriano Bof Hirshfeld analysis and molecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide Acta Crystallographica Section E, 2017, 73, 702-707
8106459	CIF	C10 H9 Cl2 N2 O4	P b c a	11.151; 7.0923; 29.243 90; 90; 90	2312.7	Qi, Bo-Shu; Sun, Xiao-Nan; Yang, Huan-Huan; Fu, Ying; Ye, Fei Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 137-138
7041621	CIF	C10 H9 Cu N5 O7	P -1	7.996; 8.629; 10.973 94.86; 98.907; 101.907	726.5	Yang, Qi; Ge, Jing; Liu, Xin; Shi, Quan; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli Low temperature heat capacity, standard entropy, standard enthalpy and magnetic property: a new 1D Cu(II) coordination polymer incorporating tetrazole-1-acetic acid and p-nitrobenzoic acid. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1878-1884
4125487	CIF	C10 H9 F2 N O2	P 1 21/n 1	11.53896; 7.57923; 20.9318 90; 95.3562; 90	1822.63	Wu, Jia-Qiang; Zhang, Shang-Shi; Gao, Hui; Qi, Zisong; Zhou, Chu-Jun; Ji, Wei-Wei; Liu, Yao; Chen, Yunyun; Li, Qingjiang; Li, Xingwei; Wang, Honggen Experimental and Theoretical Studies on Rhodium-Catalyzed Coupling of Benzamides with 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Fluorinated Heterocycles. Journal of the American Chemical Society, 2017
4131536	CIF	C10 H9 F3 O S	P 1 21 1	8.187; 5.4348; 11.5306 90; 98.017; 90	508.04	Zhang, Hu; Buchwald, Stephen L. Palladium-Catalyzed Negishi Coupling of α-CF<sub>3</sub> Oxiranyl Zincate: Access to Chiral CF<sub>3</sub>-Substituted Benzylic Tertiary Alcohols. Journal of the American Chemical Society, 2017, 139, 11590-11594
1546607	CIF	C10 H9 F3 O3	P 21 21 21	7.631; 8.0161; 16.2346 90; 90; 90	993.08	Smith, David T.; Vitaku, Edon; Njardarson, Jon T. Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products. Organic letters, 2017, 19, 3508-3511
7227701	CIF	C10 H9 Hg N3 O2	P -1	4.3353; 10.658; 12.488 106.28; 93.9; 95.4	548.7	Lin, Nai-Chieh; Syu, Herbert J. H.; Naziruddin, Abbas Raja; Liu, Fu-Chen; Lin, Ivan J. B. Direct C-metallation of N-substituted triazoles promoted by mercury acetate. An alternative route to N-heterocyclic carbene complexes RSC Adv., 2017, 7, 11652
2020684	CIF HKL Paper	C10 H9 I N2	P 21 21 21	8.7561; 9.0016; 12.8869 90; 90; 90	1015.73	Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives Acta Crystallographica Section C, 2017, 73, 2-8
2020685	CIF HKL	C10 H9 I N2	P 1 21/n 1	8.4574; 6.1526; 19.4261 90; 96.362; 90	1004.61	Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives Acta Crystallographica Section C, 2017, 73, 2-8
7120131	CIF	C10 H9 N O	P 1 21/c 1	9.8131; 11.6684; 7.2988 90; 99.827; 90	823.47	Hearne, Zoë; Li, Chao-Jun Palladium-Catalysed Atom-Economical Synthesis of Conjugated Dienals from Terminal Acetylenes and Acrolein Chem. Commun., 2017
1546704	CIF HKL Paper	C10 H9 N O2	P -1	8.7148; 13.5652; 14.7832 91.562; 96.341; 103.776	1684.4	Perez, Matthew F.; Desikan, Vasumathi; Golen, James A.; Manke, David R. 5,7-Dimethyl-1<i>H</i>-indole-2,3-dione IUCrData, 2017, 2, x170444
8106560	CIF	C10 H9 N O2	P 1 21/c 1	5.6463; 21.47; 7.3961 90; 112.015; 90	831.23	Almutairi, Maha S.; Ghabbour, Hazem A.; Attia, Mohamed I. Crystal structure of methyl 1H-indole-2-carboxylate, C10H9NO2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 431-432
2242272	CIF HKL Paper	C10 H9 N O2 S	C 1 2/m 1	13.637; 6.8965; 11.817 90; 109.28; 90	1049	Castro Agudelo, Brian; Cárdenas, Juan C.; Macías, Mario A.; Ochoa-Puentes, Cristian; Sierra, Cesar A. Crystal structure of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate: two conformers forming a discrete disorder Acta Crystallographica Section E, 2017, 73, 1287-1289
4033315	CIF	C10 H9 N O5 S	P 1 21/n 1	13.4331; 5.37; 28.625 90; 97.81; 90	2045.73	Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V. Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes. The Journal of organic chemistry, 2017, 82, 11742-11751
1546714	CIF HKL Paper	C10 H9 N S	P 1 21/n 1	6.0108; 7.9243; 19.8388 90; 94.271; 90	942.33	Khan, Ezzat; Shahzad, Adnan; Tahir, M. Nawaz; Ateeq, Muhammad (2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate IUCrData, 2017, 2, x170549
7056102	CIF	C10 H9 N17 O18	P 1 21 1	8.3515; 11.4299; 11.9398 90; 98.663; 90	1126.73	Ma, Qing; Jiang, Tao; Chi, Yu; Chen, Ya; Wang, Jun; Huang, Jinglun; Nie, Fude A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane based energetic cocrystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions New J. Chem., 2017
7120500	CIF	C10 H9 N3 O	P 1 21/c 1	4.0343; 20.902; 10.871 90; 96.641; 90	910.5	Zhang, Ning-Ning; Sun, Cai; Jiang, Xiao-Ming; Xing, Xiu-Shuang; Yan, Yong; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong Single-Component Small-Molecule White Light Organic Phosphors Chem. Commun., 2017
1546740	CIF HKL Paper	C10 H9 N3 O2	P 21 21 21	6.9549; 11.6778; 12.2165 90; 90; 90	992.2	Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Lahmidi, Sanae; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole IUCrData, 2017, 2, x171091
4032784	CIF	C10 H9 N3 O2	P n a 21	21.142; 4.242; 10.6198 90; 90; 90	952.43	Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872
4032804	CIF	C10 H9 N3 O2	P 21 21 21	3.9074; 12.9574; 18.5066 90; 90; 90	936.98	Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872
7055835	CIF	C10 H9 N3 O2	P 1 21/n 1	4.7366; 11.1769; 18.966 90; 97.015; 90	996.55	Zhang, Zhenfeng; Wang, Li; Xuan, Xiaopeng The CN⋯C‒X σ-hole interaction acts as a conformational lock New J. Chem., 2017, 41, 42
7055836	CIF	C10 H9 N3 O2	P 1 21/n 1	4.5944; 9.3525; 22.972 90; 94.883; 90	983.5	Zhang, Zhenfeng; Wang, Li; Xuan, Xiaopeng The CN⋯C‒X σ-hole interaction acts as a conformational lock New J. Chem., 2017, 41, 42
2311904	CIF Paper	C10 H9 N3 O3 S2	P 1 21/c 1	15.0609; 5.0408; 16.0954 90; 112.72; 90	1127.13	Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 797-802
2311905	CIF Paper	C10 H9 N3 O3 S2	P -1	5.0506; 8.0441; 14.1954 96.877; 95.134; 96.306	566.02	Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 797-802
2311906	CIF Paper	C10 H9 N3 O3 S2	P 1 21/c 1	7.8582; 6.1279; 24.4164 90; 98.211; 90	1163.7	Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 797-802
4032796	CIF	C10 H9 N3 O4 S	P 1 2/c 1	13.7446; 10.6979; 16.3339 90; 110.418; 90	2250.8	Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872
4032481	CIF	C10 H9 N5 O	P 1 21/c 1	10.062; 7.286; 27.054 90; 105.89; 90	1907.6	Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles. The Journal of organic chemistry, 2017
7120059	CIF	C10.222 N0.444 O2.667 S0.889	P -1	7.83191; 12.3569; 22.7654 104.436; 97.8284; 93.8331	2102.05	Ji, Wei-Wei; Lin, E.; Li, Qingjiang; Wang, Honggen Heteroannulation Enabled by a Bimetallic Rh(III)/Ag(I) Relay Catalysis: Application in Total Synthesis of Aristolactams BII Chem. Commun., 2017
1547671	CIF	C10.5 H21 Cl Fe N4 Ni O2 S2	C 1 2/c 1	12.318; 11.116; 24.241 90; 90.062; 90	3319	Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y. A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts Chem. Sci., 2017
7236456	CIF	C10.5 H4.5 Eu0.5 N0.5 O5	P n m a	8.5023; 17.3319; 12.118 90; 90; 90	1785.72	Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission Journal of Materials Chemistry C, 2017, 5, 1981
7236458	CIF	C10.5 H4.5 N0.5 O5 Tb0.5	P n m a	8.5052; 17.3256; 12.0864 90; 90; 90	1781.02	Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission Journal of Materials Chemistry C, 2017, 5, 1981
7044387	CIF	C10.5 H6.5 In0.5 N O2.67	P 63/m	15.1951; 15.1951; 23.091 90; 90; 120	4617.2	Qian, Jinjie; Li, Qipeng; Liang, Linfeng; Li, Ting-Ting; Hu, Yue; Huang, Shaoming A microporous MOF with open metal sites and Lewis basic sites for selective CO2 capture Dalton Trans., 2017
4126885	CIF	C10.64 H10.56 N6 O5.64 Zn	I -4 3 m	17.24; 17.24; 17.24 90; 90; 90	5124.03	Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A. Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society, 2017
7120820	CIF	C10.75 H17.25 B0.5 Li0.25 N0.5 O2.75	P -1	11.8344; 12.2694; 15.7797 92.1118; 103.953; 93.123	2217.36	Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center Chem. Commun., 2017
4345407	CIF	C10.75 H7.75 F3 I O3 S Se	P 1 21/c 1	12.544; 10.34; 12.411 90; 114.16; 90	1468.8	Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L. Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents. Inorganic chemistry, 2017, 56, 1282-1288
7227923	CIF	C10.85 H22.57 N2 O4	C 1 2 1	25.7697; 5.2445; 9.6681 90; 97.215; 90	1296.29	Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike Non-equimolar discrete compounds in binary chiral systems of organic substances CrystEngComm, 2017, 19, 1851
1545550	CIF	C100 H112 N8 O2 S2 U2	C 1 2/c 1	17.3745; 34.224; 17.013 90; 112.037; 90	9377.3	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
7043887	CIF	C100 H112 O6 P4 U	P -4 n 2	14.0127; 14.0127; 21.3415 90; 90; 90	4190.53	Sinclair, Fern; Hlina, Johann A.; Wells, Jordann A. L.; Shaver, Michael P.; Arnold, Polly L. Ring opening polymerisation of lactide with uranium(iv) and cerium(iv) phosphinoaryloxide complexes Dalton Trans., 2017
7041509	CIF	C100 H118 Cl10 Cu8 N16 O42	P -1	12.859; 15.819; 16.8926 116.752; 91.136; 96.267	3040.9	Chiang, Chun-Hung; Tzeng, Yen-Wen; Yang, Chen-I; Nakano, Motohiro; Wan, Wun-Long; Lai, Long-Li; Lee, Gene-Hsiang The synthesis of three new Cu5, Cu8 and Cu12 clusters via the use of a semi-flexible aminotriazine-based bis-methylpyridine ligand. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1237-1248
7228921	CIF	C100 H120.4 F2 N14 O8.2	P 1 21/n 1	16.80152; 26.0097; 22.2194 90; 108.608; 90	9202.31	Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers CrystEngComm, 2017
4087105	CIF	C100 H121 N3 O4 Pd3	P -1	15.618; 16.161; 20.549 80.016; 84.921; 65.649	4653	Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates Organometallics, 2017, 36, 944
7043491	CIF	C100 H124 Mg2 N4 O14	P b c a	21.5029; 19.1115; 27.069 90; 90; 90	11124.1	Reiner, Benjamin R.; Foxman, Bruce M.; Wade, Casey R. Electrochemical and Structural Investigation of the Interactions between Naphthalene Diimides and Metal Cations Dalton Trans., 2017
7056067	CIF	C100 H128 B2 F8 N4 O8 Pd S16	P -1	17.4676; 17.8158; 20.064 74.016; 67.644; 89.049	5524	Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M. A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units New J. Chem., 2017, 41, 3238
4126598	CIF	C100 H128 Dy3 Fe6 I Li4 O10	P -1	10.9826; 13.462; 17.649 101.096; 105.259; 104.987	2334.8	Latendresse, Trevor P.; Bhuvanesh, Nattamai S.; Nippe, Michael Hard Single-Molecule Magnet Behavior By a Linear Trinuclear Lanthanide-[1]Metallocenophane Complex. Journal of the American Chemical Society, 2017
4126457	CIF	C100 H136 Cu2 Li2 O9	C 1 2/c 1	28.2528; 21.4895; 19.7464 90; 129.47; 90	9254.8	Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation. Journal of the American Chemical Society, 2017
1544183	CIF	C100 H136 N6 P4 Ti2	C 1 2/c 1	30.5846; 15.6055; 25.1965 90; 129.98; 90	9215.1	Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224
4344964	CIF	C100 H143 Cl2 Co2 N27 O10	P -1	12.985; 15.089; 17.369 103.948; 106.273; 111.23	2813.2	Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes. Inorganic chemistry, 2017, 56, 402-413
7119539	CIF	C100 H150 O16 Os8 S16	P -1	15.4686; 17.485; 19.258 72.157; 88.111; 73.892	4755.8	Tso, Ken Chi-Hang; Chan, Sharon Lai-Fung; Huang, Jie-Sheng; Che, Chi-Ming Wheel-to-rhomboid isomerization as well as nitrene transfer catalysis of ruthenium-thiolate wheels. Chemical communications (Cambridge, England), 2017, 53, 2419-2422
4514177	CIF	C100 H168.96 Cu8 O86.48	P 4/n m m	18.9911; 18.9911; 13.4276 90; 90; 90	4842.8	Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water. ACS applied materials & interfaces, 2017, 9, 27027-27035
7041851	CIF	C100 H194 K6 O32 Si14	P -1	15.1248; 15.1905; 16.8898 101.994; 96.467; 115.554	3333.3	Gießmann, Stephan; Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Fischer, Axel; Edelmann, Frank T. Synthesis and structural study of new metallasilsesquioxanes of potassium and uranium. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2415-2419
4125951	CIF	C100 H40 F32 O32 Zr6	P 42/m m c	23.1163; 23.1163; 18.789 90; 90; 90	10040.2	Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity. Journal of the American Chemical Society, 2017
4125949	CIF	C100 H43 F30 N O32 Zr6	P 42/m m c	23.126; 23.126; 18.8542 90; 90; 90	10083.5	Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity. Journal of the American Chemical Society, 2017
4125950	CIF	C100 H48 F24 O32 Zr6	P 42/m m c	23.0135; 23.0135; 18.9024 90; 90; 90	10011.1	Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity. Journal of the American Chemical Society, 2017
4125954	CIF	C100 H49 F24 N O32 Zr6	P 42/m m c	23.1014; 23.1014; 18.8999 90; 90; 90	10086.4	Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity. Journal of the American Chemical Society, 2017
7055901	CIF	C100 H52 Cl40 Mn12 O52	P -1	19.829; 23.556; 23.62 109.625; 111.342; 98.625	9202	Kushch, Lyudmila A.; Kazakova, Anna V.; Mironova, Svetlana A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Sadakov, Andrey V.; Mironov, Vladimir S. A perylene complex with a one-dimensional coordination polymer containing [Mn6O2(CHCl2COO)10(H2O)2] cluster units linked by 3,10-perylenequinone bridges New J. Chem., 2017, 41, 793
7042095	CIF	C100 H66 As3 Co N20 O	C 1 c 1	20.9033; 27.5801; 17.7843 90; 122.388; 90	8658	Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3482-3491
7042094	CIF	C100 H66 As3 Fe N20 O	C 1 c 1	20.9359; 27.5973; 17.753 90; 122.308; 90	8669.3	Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3482-3491
7042473	CIF	C100 H78 B2 F48 Mo2 O2 P2 S2	P -1	14.0227; 14.4107; 28.596 82.24; 79.614; 79.716	5560.9	Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A. Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)]. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3510-3525
4345915	CIF	C100 H80 Ag2 N6 P4 Pt2	P -1	11.721; 12.9305; 16.4457 70.328; 76.378; 66.472	2137.1	Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O. Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly. Inorganic chemistry, 2017
4345914	CIF	C100 H80 Cu2 N6 P4 Pt2	P -1	12.1032; 12.6537; 16.1583 69.171; 75.388; 65.969	2095.6	Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O. Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly. Inorganic chemistry, 2017
7044334	CIF	C100 H83 Ag5 N20 O63 P2 W18	P -1	14.0325; 19.878; 26.649 96.102; 94.382; 110.602	6866.7	Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes Dalton Trans., 2017
1553851	CIF	C100 H96 Cl6 N6 O10	P -1	9.8074; 13.2321; 17.7176 100.836; 99.601; 93.264	2217.36	Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang Novel, linear oligoisoindole compounds with a conjugated electronic structure Organic Chemistry Frontiers, 2017, 4, 2364
4349591	CIF	C100.5 H147 Cl4 La N5 Ni4 O30	P 1 21/c 1	20.432; 33.212; 21.126 90; 115.15; 90	12977	Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C. Hybrid molecular-inorganic materials: a heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles Inorganic Chemistry Frontiers, 2017, 4, 595
7119437	CIF	C100.5 H162 Co Dy2 N6 O12	P 1 21/c 1	18.4756; 22.8962; 25.6356 90; 101.439; 90	10629	Dolinar, Brian S.; Gómez-Coca, Silvia; Alexandropoulos, Dimitris I.; Dunbar, Kim R. An air stable radical-bridged dysprosium single molecule magnet and its neutral counterpart: redox switching of magnetic relaxation dynamics. Chemical communications (Cambridge, England), 2017, 53, 2283-2286
1546130	CIF	C100.85 H95.62 Cl11.35 I12.03 N24.48 O2.88 S0.48 Zn6	C 1 2 1	33.9973; 14.9225; 31.1158 90; 101.047; 90	15493.3	Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method Chem. Sci., 2017
1545551	CIF	C101 H105 N8 O2 S U2	P -1	15.9605; 16.6905; 18.0699 67.132; 86.551; 82.45	4396.61	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
1553734	CIF	C101 H110 N4 Ni P Pt0.5	P -1	15.566; 15.831; 17.7553 80.813; 89.907; 88.251	4317.2	Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro meso-to-meso PtII-bridged NiII-porphyrin dimers Organic Chemistry Frontiers, 2017, 4, 767
4126615	CIF	C101 H117 Fe N5 O2 Si	P 1 21/c 1	26.5236; 14.0703; 23.6909 90; 105.893; 90	8503.4	Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity. Journal of the American Chemical Society, 2017
4514054	CIF	C101 H134 Ge2 N2 O2 Si2	C 1 2/c 1	31.052; 19.593; 17.8613 90; 105.933; 90	10449.4	Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853
7056399	CIF	C101 H176 Cu8 N8 O39	P -1	12.548; 12.7661; 22.424 92.579; 93.385; 117.938	3157.1	Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism New J. Chem., 2017
4086999	CIF	C101 H180 F4 Fe4 N8 O2 Sc4 Si8	P -1	11.534; 13.143; 20.525 71.835; 87.753; 79.358	2904.9	Huang, Wenliang; Diaconescu, Paula L. Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes Organometallics, 2017, 36, 89
4125959	CIF	C101 H44 F30 O32 Zr6	P 42/m m c	23.1129; 23.1129; 18.8598 90; 90; 90	10075	Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity. Journal of the American Chemical Society, 2017
4125952	CIF	C101 H50 F24 O32 Zr6	P 42/m m c	23.0639; 23.0639; 18.8246 90; 90; 90	10013.6	Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity. Journal of the American Chemical Society, 2017
7043645	CIF	C101 H66 B2 Cl2 F48 Fe2 N4 O6 P2 S2	P -1	12.2647; 18.6289; 24.731 90.896; 95.597; 95.427	5596.6	Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J. Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase Dalton Trans., 2017
7120670	CIF	C101 H73 N3 O32 Zr6	P 42/m m c	23.0842; 23.0842; 18.7738 90; 90; 90	10004.2	Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification Chem. Commun., 2017
7043678	CIF	C101 H90 Ag2 F12 Fe4 N4 O3 P4 Sb2	C 1 2/c 1	29.4021; 21.8753; 18.7554 90; 127.17; 90	9612.4	Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes Dalton Trans., 2017
7227352	CIF	C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4	P -1	10.166; 13.696; 17.241 104.5; 105.38; 92.03	2227.5	Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. Physical chemistry chemical physics : PCCP, 2017, 19, 4530-4540
4516787	CIF	C102 H100 B2 N6 Ni O2	P -1	12.6909; 16.3914; 20.9924 81.335; 76.622; 80.613	4162.4	Bunescu, Ala; Lee, Sunwoo; Li, Qian; Hartwig, John F. Catalytic Hydroxylation of Polyethylenes. ACS central science, 2017, 3, 895-903
7044579	CIF	C102 H100 N8 O32.5 Ru6	P 1	11.7442; 14.8795; 17.1035 106.199; 103.748; 100.635	2685.21	Ansari, Mohd. Asif; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Schwederski, Brigitte; Kaim, W.; Lahiri, Goutam Kumar Non-innocence and mixed valency in tri- and tetranuclear ruthenium complexes of a heteroquinone bridging ligand Dalton Trans., 2017
7044394	CIF	C102 H106 N12 O20 S Zn2	P -1	13.5628; 15.831; 24.5816 93.41; 95.78; 104.908	5054.3	Guo, Mingming; Liu, Siyu; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Deng, Ruiping The mixed-ligand strategy to assemble a microporous anionic metal-organic framework: Ln3+ post-functionalization, sensors and selective adsorption of dyes Dalton Trans., 2017
7041966	CIF	C102 H108 N10 O20 Zn2	P 1 21/c 1	11.4221; 21.2742; 19.0647 90; 95.4192; 90	4611.9	Gholami, Ghazale; Baggi, Giorgio; Zhu, Kelong; Loeb, Stephen J. Metal-organic frameworks utilising an interlocked, hexadentate linker containing a tetra-carboxylate axle and a bis(pyridine) wheel. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2462-2470
7120759	CIF	C102 H116 Cl3 N11 O9	C 1 c 1	19.7171; 48.1436; 22.2536 90; 110.35; 90	19805.8	Aparicio, Fátima; Faour, Lara; Allain, Magali; Canevet, David; Salle, Marc Pyrene-functionalized Foldamer: Structural Impact and Recognition Properties supported by Donor-Acceptor Interactions Chem. Commun., 2017
4514258	CIF	C102 H123 N17 O29 Zn4	P 1 21 1	15.1669; 15.1542; 32.47 90; 99.162; 90	7367.8	Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption. ACS applied materials & interfaces, 2017, 9, 37419-37434
4345334	CIF	C102 H130 B4 N24 S7 Y4	P a -3	28.859; 28.859; 28.859 90; 90; 90	24035	Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity. Inorganic chemistry, 2017, 56, 2070-2077
4126325	CIF	C102 H130 Co3 N6 Na6 O18	C 1 2/c 1	18.508; 29.695; 18.979 90; 100.017; 90	10272	Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases. Journal of the American Chemical Society, 2017, 139, 8628-8638
7042773	CIF	C102 H142 Cr2 Dy2 N22 Ni4 O34	P 1 21/c 1	16.818; 22.639; 19.369 90; 105.455; 90	7107.9	Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong Metallocyclic Ni4Ln2M2 single-molecule magnets Dalton Trans., 2017
4131589	CIF	C102 H142 Cu F O9 P2 Si2	P 21 21 21	14.0112; 23.8266; 28.7899 90; 90; 90	9611.2	Xi, Yumeng; Hartwig, John F. Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes. Journal of the American Chemical Society, 2017, 139, 12758-12772
7043756	CIF	C102 H146 Si4	C 1 2/c 1	37.053; 18.096; 15.4097 90; 111.333; 90	9624	Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David (Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene. Dalton transactions (Cambridge, England : 2003), 2017
4514282	CIF	C102 H149 Cl In2 N4 O5	P 1	12.1349; 12.2766; 18.6225 85.388; 74.176; 65.392	2425	Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air ACS Catalysis, 2017, 7, 6413
7120530	CIF	C102 H152 B2 K2 O18	P -1	12.8138; 13.8501; 16.3243 104.712; 107.141; 103.546	2523.5	Yu, Lirong; Li, Yanglizhi; Wang, Xi; Wang, Xingyong; Zhou, Panpan; Jiang, ShangDa; pan, xiaobo Consecutive reduction, radical-cyclization, and oxidative-dehydrogenation reaction of ortho-substituted diboryl compound Chem. Commun., 2017
7041378	CIF	C102 H190 O72 P2 Ti18	P -1	14.013; 14.568; 21.464 82.47; 76.55; 67.69	3938	Fang, Wei-Hui; Zhang, Lei; Zhang, Jian Synthetic investigation, structural analysis and photocatalytic study of a carboxylate-phosphonate bridged Ti18-oxo cluster. Dalton transactions (Cambridge, England : 2003), 2017, 46, 803-807
4125948	CIF	C102 H46 F30 O32 Zr6	P 42/m m c	23.0991; 23.0991; 18.8485 90; 90; 90	10057	Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity. Journal of the American Chemical Society, 2017
4349682	CIF	C102 H66 Cd3 Cl6 N6 O6	C 1 2/c 1	32.872; 20.387; 13.895 90; 113.722; 90	8525	Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties Inorganic Chemistry Frontiers, 2017, 4, 764
7044236	CIF	C102 H70 Au4 N8 P4	P b c n	18.968; 26.452; 20.5749 90; 90; 90	10323	Ferrer, Montserrat; Giménez, Leticia; Gutiérrez, Albert; Lima, J. C. Carlos; Rodriguez, Laura; Martinez, Manuel; Martín, Avelino; Puttreddy, Rakesh; Rissanen, Kari Polypyridyl-functionalizated alkynyl gold(I) metallaligands supported by tri- and tetradentate phosphanes Dalton Trans., 2017
7119910	CIF	C102 H72 Ag7 Cl7 N36 O28	P -3	25.4554; 25.4554; 16.5591 90; 90; 120	9292.39	Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26. Chemical communications (Cambridge, England), 2017, 53, 4767-4770
7120669	CIF	C102 H74 N6 O32 Zr6	P 42/m m c	23.1092; 23.1092; 18.7957 90; 90; 90	10037.6	Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification Chem. Commun., 2017
7120644	CIF	C102 H78 Au9 B3 F12 N6 P6	P n a 21	24.8293; 19.8167; 27.5843 90; 90; 90	13572.4	Lei, Zhen; Zhang, Jin-Yuan; Guan, Zong-Jie; Wang, Quan-Ming Intensely luminescent gold(I) phosphinopyridyl clusters: visualization of unsupported aurophilic interactions in solution Chem. Commun., 2017
7228217	CIF	C102 H88 Cd4 N14 O38	P 21 21 2	18.674; 23.894; 14.086 90; 90; 90	6285	Boer, Stephanie A.; Turner, David R. A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers CrystEngComm, 2017, 19, 2402
7119310	CIF	C102 H98 Cd3 Cl6 K2 N36 O12	P 1 2/c 1	16.136; 13.126; 34.238 90; 90.19; 90	7252	Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules. Chemical communications (Cambridge, England), 2017, 53, 636-639
1547064	CIF	C102.5 H75.5 Cl12.75 N6	P 1 21/c 1	24.334; 13.557; 27.189 90; 90.828; 90	8969	Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System. Organic letters, 2017, 19, 4371-4374
7120017	CIF	C102.89 H76.08 Cl2.56 Mn4 N4 O13.65	P -1	13.5028; 16.598; 21.517 77.057; 82.24; 83.778	4641.5	Lee, Heui Beom; Tsui, Emily Y.; Agapie, Theodor CaMn4O2 model of the biological Oxygen Evolving Complex: Synthesis by cluster expansion on low symmetry ligand Chem. Commun., 2017
7228860	CIF	C103 H108 Cl4 O12	R 3 :H	26.3307; 26.3307; 11.1874 90; 90; 120	6717.1	Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D. Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound CrystEngComm, 2017
7042050	CIF	C103 H110 Cl2 Fe10 N2 O39	C 1 2/c 1	27.692; 17.496; 27.706 90; 116.695; 90	11993	Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3240-3251
7119640	CIF	C103 H120 N8 O8 Pd4	P 1 21/c 1	22.183; 38.918; 29.113 90; 111.441; 90	23394	Jandl, Christian; Pöthig, Alexander A hybrid carbocyclic/N-heterocyclic carbene ligand. Chemical communications (Cambridge, England), 2017, 53, 2098-2101
7120206	CIF	C103 H84 Ag2 N10 Pt2	P b c n	18.6158; 18.2847; 24.601 90; 90; 90	8373.8	Ueda, Misa; Horiuchi, Shinnosuke; Sakuda, Eri; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke Reversible formation and cleavage of Pt→Ag dative bonds in a pre-organized cavity of a luminescent heteropolynuclear platinum(ii) complex Chem. Commun., 2017
1545535	CIF	C103 H97 N16 O38.5	P 1 21/n 1	28.255; 51.842; 30.331 90; 110.957; 90	41490	Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741
4126150	CIF	C103 La2 S6	P 1 21/n 1	15.119; 20.012; 17.444 90; 96.09; 90	5248.1	Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching. Journal of the American Chemical Society, 2017, 139, 4724-4728
4131313	CIF	C104 H103 N O52.5 Y9	P 63/m m c	21.996; 21.996; 24.912 90; 90; 120	10438.2	AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control. Journal of the American Chemical Society, 2017, 139, 10715-10722
4086818	CIF	C104 H106 B F24 Mn N2 O4	P 1 21/c 1	25.384; 16.256; 49.409 90; 101.988; 90	19944	Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids Organometallics, 2017, 36, 363
4345814	CIF	C104 H108 Cu2 F12 N24 O18 S4	C 1 2/c 1	21.7957; 22.4426; 27.7251 90; 110.418; 90	12709.7	Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E. Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling. Inorganic chemistry, 2017, 56, 4898-4910
4131771	CIF	C104 H110 Bi Cl N2 O Si2	P 21 21 21	18.0673; 19.7078; 24.446 90; 90; 90	8704.4	Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M. Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds. Journal of the American Chemical Society, 2017, 139, 16490-16493
1556486	CIF	C104 H112 F48 K8 N8 O8	P 1 21/n 1	14.2195; 11.8504; 39.8155 90; 97.526; 90	6651.4	Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y. K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides Inorganics, 2017, 5, 13
1551436	CIF	C104 H124 Ag12 F16 N8 O8 S8	I -4 2 m	17.3073; 17.3073; 20.4745 90; 90; 90	6133	Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697
7042735	CIF	C104 H126 N6 O4 Yb2	P -1	14.2348; 16.1058; 23.8596 103.924; 96.231; 108.738	4924.1	Gong, Chao; Ding, Hao; Lu, Chengrong; Zhao, Bei; Yao, Yingming An amidato divalent ytterbium cluster: synthesis and molecular structure, its reactivity to carbodiimides and application in the guanylation reaction Dalton Trans., 2017
1551434	CIF	C104 H128 Ag12 F12 N8 O8 S8	I -4 2 m	17.298; 17.298; 20.5393 90; 90; 90	6145.79	Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697
4126931	CIF	C104 H130 Lu3 N6 P S4	P -1	15.272; 15.635; 26.536 79.553; 73.921; 76.979	5884	Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study. Journal of the American Chemical Society, 2017
4126925	CIF	C104 H130 N6 P S4 Y3	P -1	15.0505; 15.6538; 26.496 78.745; 74.276; 75.352	5759.5	Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study. Journal of the American Chemical Society, 2017
7120172	CIF	C104 H138 Cl8 N6 O12	P -1	13.7784; 14.3195; 16.956 97.571; 109.693; 114.255	2725.7	Lavendomme, Roy; Ajami, Daniela; Moerkerke, Steven; Wouters, Johan; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers Chem. Commun., 2017
7119753	CIF	C104 H145 N19 O55 Zr6	I -4 2 d	38.9025; 38.9025; 18.9223 90; 90; 90	28637.1	Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins. Chemical communications (Cambridge, England), 2017, 53, 3941
7044557	CIF	C104 H164 O44 Ti10	P 1 21/c 1	17.2643; 18.9646; 19.8713 90; 99.975; 90	6407.7	Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands Dalton Trans., 2017
4003348	CIF	C104 H172 Cu4 I4 N8 O48 P4 Ti12	P -1	13.527; 25.847; 26.657 98.87; 103.892; 103.725	8566	Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials, 2017, 29, 2681
7044558	CIF	C104 H174 N2 O44 Ti10	P 1 21/c 1	18.6395; 17.7825; 19.4352 90; 95.404; 90	6413.3	Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands Dalton Trans., 2017
4131316	CIF	C104 H240 N O121 Y9	P 63/m m c	22.098; 22.098; 24.706 90; 90; 120	10448.1	AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control. Journal of the American Chemical Society, 2017, 139, 10715-10722
4345173	CIF	C104 H490 Cl21 Eu37 O378	C m c 21	49.948; 27.552; 29.639 90; 90; 90	40788	Zhou, Yang; Zheng, Xiu-Ying; Cai, Jing; Hong, Zi-Feng; Yan, Zhi-Hao; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Zheng, Lan-Sun Three Giant Lanthanide Clusters Ln37 (Ln = Gd, Tb, and Eu) Featuring A Double-Cage Structure. Inorganic chemistry, 2017, 56, 2037-2041
4345172	CIF	C104 H500 Cl21 O378 Tb37	C m c 21	48.1145; 26.6472; 28.6307 90; 90; 90	36708	Zhou, Yang; Zheng, Xiu-Ying; Cai, Jing; Hong, Zi-Feng; Yan, Zhi-Hao; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Zheng, Lan-Sun Three Giant Lanthanide Clusters Ln37 (Ln = Gd, Tb, and Eu) Featuring A Double-Cage Structure. Inorganic chemistry, 2017, 56, 2037-2041
7042097	CIF	C104 H68 Cl8 N10 O P4 Ti	P -1	11.3971; 14.8799; 15.0231 63.13; 77.45; 78.459	2203.1	Faraonov, Maxim A.; Konarev, Dmitri V.; Fatalov, Alexey M.; Khasanov, Salavat S.; Troyanov, Sergey I.; Lyubovskaya, Rimma N. Radical anion and dianion salts of titanyl macrocycles with acceptor substituents or an extended π-system. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3547-3555
4032666	CIF	C104 H70 Cl4 O9	P 1 21/n 1	11.1137; 36.5155; 19.991 90; 96.49; 90	8060.8	Shouda, Takaaki; Nakanishi, Kentaro; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori Synthesis and Structures of Zigzag Shaped [12]Cyclo-p-phenylene Composed of Dinaphthofuran Units and Biphenyl Units. The Journal of organic chemistry, 2017
4086987	CIF	C104 H74 Ag6 F18 O9 P6 S3	P -3	18.4199; 18.4199; 21.9233 90; 90; 120	6441.9	Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O. Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity Organometallics, 2017, 36, 480
7120668	CIF	C104 H76 N12 O34 Zr6	P 42/m m c	23.0742; 23.0742; 18.6187 90; 90; 90	9912.9	Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification Chem. Commun., 2017
7236286	CIF	C104 H82 Mn7 N8 O44	P -1	13.136; 14.882; 15.283 116.26; 93.42; 108.77	2464	Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties RSC Advances, 2017, 7, 7217
4086984	CIF	C104 H83 Ag6 F9 O12 P6 S3	P 1 21/n 1	22.423; 15.8745; 34.3444 90; 108.536; 90	11590.8	Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O. Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity Organometallics, 2017, 36, 480
4131315	CIF	C104 H86 N O44 Y9	P 63/m m c	22.1501; 22.1501; 24.4015 90; 90; 120	10368.1	AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control. Journal of the American Chemical Society, 2017, 139, 10715-10722
1544825	CIF	C104 H86 N2 O4	P -1	11.4627; 11.8704; 15.645 76.067; 89.834; 72.77	1968.03	Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh Enhanced intersystem crossing in core-twisted aromatics Chem. Sci., 2017, 8, 1776
7229273	CIF	C104 H92 Co3 N16 O26	P -1	11.5476; 14.6312; 15.3494 96.828; 97.036; 108.059	2413	Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid† CrystEngComm, 2017
7042649	CIF	C105 H111 Cl6 Mn7 N9 Na2 O23	R 3 :H	19.626; 19.626; 28.7679 90; 90; 120	9596.3	Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core Dalton Trans., 2017
4125457	CIF	C105 H111 F12 N8 O30 Rh4 S4	P 1 21/n 1	16.0557; 35.685; 21.5588 90; 109.033; 90	11676.8	Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660
7043183	CIF	C105 H144 N6 Ni O9	C 1 2/c 1	28.9848; 24.5064; 28.312 90; 95.4711; 90	20018.8	Parrot, Arnaud; Yuma, Morimoto; Paria, Sayantan; Sugimoto, Hideki; Fujieda, Nobutaka; Itoh, Shinobu Generation and characterisation of a stable nickel(II)-aminoxyl radical complex Dalton Trans., 2017
7042776	CIF	C105 H145 Cr2 N23 Ni4 O33 Tb2	P 1 21/c 1	16.838; 22.752; 19.315 90; 105.32; 90	7137	Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong Metallocyclic Ni4Ln2M2 single-molecule magnets Dalton Trans., 2017
4131263	CIF	C105 H148 Sn2	C 1 2/c 1	24.8482; 13.0549; 30.6387 90; 111.726; 90	9232.9	Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P. Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer. Journal of the American Chemical Society, 2017, 139, 6586-6595
7042755	CIF	C105 H152 Al2 N4 O10 Si2 Sm2	P 1 21/n 1	12.4544; 28.3375; 28.8714 90; 91.8631; 90	10184.1	Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech Molecular rare earth metal alumosilicates Dalton Trans., 2017
7120171	CIF	C105 H162 Cl16 N6 O22	P -1	13.8689; 16.6934; 16.8118 109.746; 102.23; 102.209	3406.5	Lavendomme, Roy; Ajami, Daniela; Moerkerke, Steven; Wouters, Johan; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers Chem. Commun., 2017
7119752	CIF	C105 H168 N22 O52 Zr6	I -4 2 d	38.8511; 38.8511; 18.7521 90; 90; 90	28304.6	Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins. Chemical communications (Cambridge, England), 2017, 53, 3941
1544182	CIF	C105 H192 Dy4 N12 O24	C 1 2/c 1	28.1117; 20.1279; 22.8674 90; 105.985; 90	12438.7	Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet. Chemical science, 2017, 8, 1178-1185
4345968	CIF	C105 H64 B2 Cl2 F48 I2 O4 P2	P 1 21 1	12.46086; 34.0625; 13.54015 90; 110.611; 90	5379.22	Borys, Andryj M.; Clark, Ewan R. Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers. Inorganic chemistry, 2017
7228207	CIF	C105 H86 Cu3 F N6 O6 P6	P 1 21/n 1	17.551; 30.505; 19.142 90; 94.84; 90	10212	Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures CrystEngComm, 2017, 19, 2349
4131725	CIF	C105 H88 As3 Fe N4 O17	P 1 21/n 1	23.005; 14.524; 30.713 90; 92.742; 90	10250	Johnstone, Timothy C.; Nolan, Elizabeth M. Determination of the Molecular Structures of Ferric Enterobactin and Ferric Enantioenterobactin Using Racemic Crystallography. Journal of the American Chemical Society, 2017, 139, 15245-15250
7228214	CIF	C105 H95 Mn4 N15 O39	P 21 21 2	18.324; 23.774; 14.04 90; 90; 90	6116	Boer, Stephanie A.; Turner, David R. A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers CrystEngComm, 2017, 19, 2402
4349351	CIF	C105.38 H85.9 In4 N7.13 O35.13 S8	C 1 2/c 1	13.9174; 15.0132; 16.1501 90; 115.496; 90	3045.9	Bellas, Michael K.; Mihaly, Joseph J.; Zeller, Matthias; Genna, Douglas T. Anion-Cation Mediated Structural Rearrangement of an In-derived Three-Dimensional Interpenetrated Metal-Organic Framework. Inorganic chemistry, 2017, 56, 950-955
7044526	CIF	C105.5 H71 B Cl F24 Ir P4	P -1	12.7542; 17.2595; 22.2988 73.992; 74.3769; 83.4459	4539.8	Sung, Simon; Young, Rowan Drury Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand Dalton Trans., 2017
7042949	CIF	C106 H110 Cd2 N9 Na O38	C 1 2/c 1	17.546; 21.3217; 35.974 90; 99.105; 90	13288.7	Gong, Yun-Nan; Wei, Xue-Wen; He, Lv-Heng; Wen, Ya-Qiong; Ren, Ya-Wen; Xie, Yong-Rong; Zhong, Di-Chang Two bilayer metal−organic frameworks with rare trinuclear heterometal clusters and tunable photoluminescence Dalton Trans., 2017
7044089	CIF	C106 H112 Cu4 N10 Na2 O24 Si12	C 1 2/c 1	20.3032; 20.2902; 29.2211 90; 101.772; 90	11784.6	Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties Dalton Trans., 2017
7227854	CIF	C106 H112 Cu4 O20	P 1	13.2142; 13.8021; 15.108 98.5544; 94.0136; 108.002	2571.64	Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties CrystEngComm, 2017, 19, 2042
7120816	CIF	C106 H118 Cd2 Mn2 N12 O18.71 V	P 21 21 2	34.757; 17.7053; 23.9558 90; 90; 90	14742	Li, Zijian; Liu, Yan; Xia, Qingchun; Cui, Yong Chiral binary metal-organic frameworks for asymmetric sequential reactions Chem. Commun., 2017
7120883	CIF	C106 H124 N8 O8	C 1 2/c 1	36.5263; 14.3181; 26.3568 90; 110.445; 90	12916	Su, Pei-Mei; Chang, Kai-Chi; Yang, Cheng-Jhang; Liu, Yi-Chieh; Chung, Wen-Sheng Light-driven nanofiber and nanoring morphological transformations in organogels based on an azobenzene-bridged biscalix[4]arene Chemical Communications, 2017
1560383	CIF	C106 H128 N34 O32 Zn6	P -1	16.028; 20.202; 21.17 78.07; 74.54; 76.76	6353	Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties Journal of Solid State Chemistry, 2017, 253, 35-42
1545552	CIF	C106 H130 B K N8 O5 U2	P n m a	29.6933; 29.9161; 10.8656 90; 90; 90	9652	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609
1547339	CIF	C106 H130 N4 O12	P -1	12.0595; 12.5637; 16.8685 74.7825; 76.6602; 70.7332	2298.72	Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J. Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes Chem. Sci., 2017
4349590	CIF	C106 H160 Cl4 N5 Ni4 O31 Tb	P 1 21/c 1	20.3895; 33.1075; 21.087 90; 115.982; 90	12796	Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C. Hybrid molecular-inorganic materials: a heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles Inorganic Chemistry Frontiers, 2017, 4, 595
7042972	CIF	C106 H167.07 Cl12 In4 N10 O10.53	P -1	17.446; 18.137; 21.873 111.592; 102.906; 98.059	6081	Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P. Impact of aryloxy initiators on the living and immortal polymerization of lactide. Dalton transactions (Cambridge, England : 2003), 2017
4087171	CIF	C106 H54 B2 Cl8 F40 N2 Zr2	P -1	12.6013; 14.2473; 15.7688 63.993; 86.318; 80.98	2512.88	Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M. Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes Organometallics, 2017
4131409	CIF	C106 H65 Al4 Cl F50 Fe2 O2	P 1 21/n 1	14.168; 39.796; 18.693 90; 99.024; 90	10409	Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W. Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation. Journal of the American Chemical Society, 2017, 139, 10062-10071
7043836	CIF	C106 H82 F36 N8 O24 Yb2 Zn4	P 1 21/n 1	18.1681; 13.5223; 22.7668 90; 96.937; 90	5552.3	Pushkarev, Anatoly P.; Balashova, Tatyana V.; Kukinov, Andrey A.; Arsenyev, Maxim V.; Yablonskiy, Artem N.; Kryzhkov, Denis I.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N. Sensitization of NIR luminescence of Yb3+ by Zn2+ chromophores in heterometallic complexes with a bridging Schiff-base ligand Dalton Trans., 2017
7228370	CIF	C106 H88 Cl6 Cu8 K2 N32 O8 S8	C 1 2/c 1	31.5889; 15.6131; 28.325 90; 115.412; 90	12618.3	Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan A Structural Study of Dithizone Coordination Chemistry CrystEngComm, 2017
7228367	CIF	C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8	C 1 2/c 1	31.5024; 15.5709; 28.1201 90; 114.798; 90	12521.6	Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan A Structural Study of Dithizone Coordination Chemistry CrystEngComm, 2017
4125548	CIF	C106 H96 Co3 N14 O12	P 1 21 1	12.489; 27.457; 14.1 90; 104.753; 90	4675.6	Wu, Yilei; Krzyaniak, Matthew D.; Stoddart, J. Fraser; Wasielewski, Michael R. Spin Frustration in the Triradical Trianion of a Naphthalenediimide Molecular Triangle. Journal of the American Chemical Society, 2017, 139, 2948-2951
4345167	CIF	C106.18 H116.68 N8 O5.95 Pd1.05	P -1	15.2345; 16.9566; 19.4273 101.572; 96.479; 111.128	4490.9	Vogel, Anastasia; Dechert, Sebastian; Brückner, Christian; Meyer, Franc Reaching across the Divide: How Monometalation of One Binding Pocket Affects the Empty Binding Pocket in a Siamese-Twin Porphyrin Palladium Complex. Inorganic chemistry, 2017, 56, 2221-2232
1546942	CIF	C106.943 H73.411 F7.411 N12 O14.4717 Ru3	R 3 c :H	26.1798; 26.1798; 30.736 90; 90; 120	18244	Kunz, Valentin; Lindner, Joachim O.; Schulze, Marcus; Röhr, Merle I. S.; Schmidt, David; Mitrić, Roland; Würthner, Frank Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles Energy Environ. Sci., 2017
4345209	CIF	C107 H164 K N7 O9 U	P c a 21	32.283; 11.4771; 27.246 90; 90; 90	10095.1	Rosenzweig, Michael W.; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten Molecular and Electronic Structures of Eight-Coordinate Uranium Bipyridine Complexes: A Rare Example of a Bipy(2-) Ligand Coordinated to a U(4+) Ion. Inorganic chemistry, 2017, 56, 2792-2800
4131797	CIF	C107 H170 Al2 Ir2 N4 Si4	P -1	13.4845; 14.673; 14.8811 73.347; 71.377; 68.568	2548.6	Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation. Journal of the American Chemical Society, 2017, 139, 17763-17766
7229304	CIF	C107 H84 N8 O4	P 1 21/c 1	9.743; 8.591; 48.988 90; 93.39; 90	4093.2	Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing CrystEngComm, 2017
7228206	CIF	C107 H86 Cu3 F7 N4 O2 P6	P 1 21/n 1	20.044; 26.268; 20.139 90; 96.56; 90	10534	Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures CrystEngComm, 2017, 19, 2349
7228208	CIF	C107 H92 B0.5 Cu3 F3 N4 O4 P6	C 1 2/c 1	47.4995; 15.3047; 29.9249 90; 107.656; 90	20729.6	Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures CrystEngComm, 2017, 19, 2349
7227663	CIF	C107 H96 B2 N4 O	P 1 21/n 1	10.827; 11.86; 34.3648 90; 94.6387; 90	4398.27	You, Dong Kyun; Lee, Seon Hee; Lee, Ji Hye; Kwak, Sang Woo; Hwang, Hyonseok; Lee, Junseong; Chung, Yongseog; Park, Myung Hwan; Lee, Kang Mun Synthesis and photophysical properties of phenanthroimidazole‒triarylborane dyads: intriguing ‘turn-on’ sensing mediated by fluoride anions RSC Adv., 2017, 7, 10345
7042774	CIF	C107.38 H148.69 Fe2 N24.69 Ni4 O33.31 Tb2	P 1 21/c 1	16.93; 22.828; 19.005 90; 104.51; 90	7111	Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong Metallocyclic Ni4Ln2M2 single-molecule magnets Dalton Trans., 2017
4345747	CIF	C108 Br30 N12 Pb9	C 1 2/c 1	30.6471; 24.3702; 21.9002 90; 102.19; 90	15987.9	Liu, Guangfeng; Liu, Jie; Nie, Lina; Ban, Rui; Armatas, Gerasimos S.; Tao, Xutang; Zhang, Qichun Surfactant 1-Hexadecyl-3-methylimidazolium Chloride Can Convert One-Dimensional Viologen Bromoplumbate into Zero-Dimensional. Inorganic chemistry, 2017, 56, 5498-5501
7042837	CIF	C108 H106 Br2 N52 O34 U	P -1	12.6201; 15.5773; 17.0824 89.556; 81.972; 84.793	3311.5	Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center Dalton Trans., 2017
4131314	CIF	C108 H106 N3 O47 Y9	P 63/m m c	22.0149; 22.0149; 24.6746 90; 90; 120	10356.5	AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control. Journal of the American Chemical Society, 2017, 139, 10715-10722
4126746	CIF	C108 H108 F3 N4 Ni O3 S	P 1 21/c 1	16.5352; 21.4824; 24.9074 90; 94.939; 90	8814.7	Agnew, Douglas W.; DiMucci, Ida M.; Arroyave, Alejandra; Gembicky, Milan; Moore, Curtis E.; MacMillan, Samantha N.; Rheingold, Arnold L.; Lancaster, Kyle M.; Figueroa, Joshua S. Crystalline Coordination Networks of Zero-Valent Metal Centers: Formation of a 3-Dimensional Ni(0) Framework with m-Terphenyl Diisocyanides. Journal of the American Chemical Society, 2017
4086983	CIF	C108 H110 Ag8 F12 O14 P6 S4	P -1	13.8948; 14.7416; 15.8355 112.562; 99.276; 94.822	2918.1	Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O. Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity Organometallics, 2017, 36, 480
1547542	CIF	C108 H111 N3 O6	R -3 c	20.4648; 20.4648; 73.392 90; 90; 120	26619.2	Chen, Zhongtao; Zhao, Xiangxiang; Gong, Xinyi; Xu, Di; Ma, Yuguo Macrocyclic Trinuclear Nickel Phenoxyimine Catalysts for High-Temperature Polymerization of Ethylene and Isospecific Polymerization of Propylene Macromolecules, 2017, 50, 6561
7042834	CIF	C108 H112 Br2 N52 O34 U	P -1	12.7846; 14.7915; 17.0792 91.261; 97.291; 93.699	3195.5	Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center Dalton Trans., 2017
7042835	CIF	C108 H112 Br2 N52 O34 U	P -1	12.8248; 14.8362; 17.044 91.439; 96.887; 93.574	3211.6	Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center Dalton Trans., 2017
7042836	CIF	C108 H112 Br2 N52 O34 U	P -1	12.7767; 15.3536; 17.0453 90.559; 97.59; 94.644	3302.9	Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center Dalton Trans., 2017
7042838	CIF	C108 H112 Br2 N52 O34 U	P -1	12.6946; 14.7727; 17.0721 90.387; 98.122; 94.716	3158.2	Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center Dalton Trans., 2017
7042647	CIF	C108 H112 Br6 Mn7 N10 Na2 O21	P 1	14.2067; 14.5629; 16.5401 91.435; 112.245; 110.988	2905.6	Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core Dalton Trans., 2017
4125458	CIF	C108 H118 F12 N8 O27 Rh4 S4	C 1 2/c 1	40.736; 14.9836; 24.2513 90; 117.182; 90	13167.5	Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660
7043239	CIF	C108 H120.5 Cl2 N12 Ni7 O24.25	P a -3	22.615; 22.615; 22.615 90; 90; 90	11566	Kobayashi, Fumiya; Ohtani, Ryo; Teraoka, Saki; Kosaka, Wataru; Miyasaka, Hitoshi; Zhang, Yingjie; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki Syntheses, Structures and Magnetic Properties of Tetranuclear Cubane-type and Heptanuclear Wheel-type Nickel(II) Complexes with 3-Methoxysalicylic Acid Derivatives Dalton Trans., 2017
4087142	CIF	C108 H126 Cl12 N3 P3 Ru3	P 1	10.0993; 14.0965; 19.409 103.571; 97.882; 97.018	2626.2	Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II) Organometallics, 2017, 36, 714
4126930	CIF	C108 H130 N6 O12 P Y3	P -1	16.82; 19.34; 21.81 93.95; 109.96; 107.14	6258	Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study. Journal of the American Chemical Society, 2017
4131700	CIF	C108 H144 Ag4 Au4 N8 S4	I -4	18.4029; 18.4029; 16.434 90; 90; 90	5565.6	Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F. A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties. Journal of the American Chemical Society, 2017, 139, 14045-14048
4131701	CIF	C108 H144 Ag4 Au4 N8 Se4	I -4	18.437; 18.437; 16.477 90; 90; 90	5601	Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F. A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties. Journal of the American Chemical Society, 2017, 139, 14045-14048
4131702	CIF	C108 H144 Au8 N8 S4	I -4	18.389; 18.389; 16.455 90; 90; 90	5564	Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F. A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties. Journal of the American Chemical Society, 2017, 139, 14045-14048
4131703	CIF	C108 H144 Au8 N8 Se4	I -4	18.451; 18.451; 16.458 90; 90; 90	5603	Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F. A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties. Journal of the American Chemical Society, 2017, 139, 14045-14048
7055926	CIF	C108 H146 Cu2 N24 O37 S2	P -1	14.456; 20.541; 22.843 73.881; 79.477; 88.62	6404	Adarsh, N. N.; Chakraborty, Amarnath; Tarrés, Màrius; Dey, Surjendu; Novio, Fernando; Chattopadhyay, Basab; Ribas, Xavi; Ruiz-Molina, Daniel Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage New J. Chem., 2017, 41, 1179
7043842	CIF	C108 H153 Ag3 O9 S3 Si3	P -1	17.8298; 19.7016; 19.9173 118.104; 106.97; 97.025	5616	Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties Dalton Trans., 2017
4038946	CIF	C108 H162 N20 O26 S8	P -1	11.154; 14.2902; 19.7538 100.214; 90.119; 95.774	3082.4	Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes. The Journal of organic chemistry, 2017, 82, 8536-8547
4003346	CIF	C108 H176 Br4 Cu4 N4 O48 P4 Ti12	P -1	13.56; 25.683; 26.59 99.185; 104.314; 104.895	8421	Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials, 2017, 29, 2681
1553882	CIF	C108 H176 Cl6 N52 O50 Sr2	P -1	12.8381; 15.6916; 22.2878 92.995; 98.521; 106.862	4227.9	Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril Organic Chemistry Frontiers, 2017, 4, 2422
4003347	CIF	C108 H176 Cu4 I4 N4 O48 P4 Ti12	P -1	13.543; 25.778; 26.753 98.786; 103.609; 103.991	8588	Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials, 2017, 29, 2681
7042041	CIF	C108 H216 K8 N12 O48 Pd24 Sb42	P a -3	29.59; 29.59; 29.59 90; 90; 90	25908	Li, Zhenyu; Ruan, Huapeng; Wang, Lulu; Liu, Caiping; Xu, Li Counterion-induced crystallization of intermetalloid Matryoshka clusters [Sb@Pd12@Sb20](3-,4). Dalton transactions (Cambridge, England : 2003), 2017, 46, 3453-3456
4126281	CIF	C108 H232 B12 F12 K4 N12 O32	P n a 21	9.198; 27.5739; 14.0441 90; 90; 90	3561.9	Geri, Jacob B.; Szymczak, Nathaniel K. Recyclable Trifluoromethylation Reagents from Fluoroform Journal of the American Chemical Society, 2017
7120869	CIF	C108 H258 Cu2 K3.15 N36 O18 Rb2.85 Si18	P -1	17.1296; 18.1554; 30.796 86.899; 81.149; 65.729	8626.4	Geitner, Felix; Fässler, Thomas F Low Oxidation State Silicon Clusters ‒ Synthesis and Structure of [NHCDippCu(η4-Si9)]3- Chemical Communications, 2017
7120868	CIF	C108 H258 Cu2 K6 N36 O18 Si18	P -1	17.1066; 18.1573; 30.8056 87.076; 81.339; 65.383	8598.9	Geitner, Felix; Fässler, Thomas F Low Oxidation State Silicon Clusters ‒ Synthesis and Structure of [NHCDippCu(η4-Si9)]3- Chemical Communications, 2017
7043251	CIF	C108 H64 Ca4 O21	I 4/m	13.546; 13.546; 34.908 90; 90; 90	6405.4	Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green Dalton Trans., 2017
7043253	CIF	C108 H64 Ca4 O21	I 4/m	13.3902; 13.3902; 35.51 90; 90; 90	6366.9	Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green Dalton Trans., 2017
2241974	CIF HKL Paper	C108 H76 N28 Ni2 O6	P -1	12.4034; 13.2921; 15.4869 88.828; 86.336; 73.586	2444.21	Černák, Juraj; Kuchár, Juraj; Hegedüs, Michal Disorder of the dimeric TCNQ‒TCNQ unit in the crystal structure of [Ni(bpy)~3~]~2~(TCNQ‒TCNQ)(TCNQ)~2~·6H~2~O (TCNQ is 7,7,8,8-tetracyanoquinodimethane) Acta Crystallographica Section E, 2017, 73, 8-12
7041715	CIF	C108 H84 Au6 P6 S2	P 1 21/c 1	14.73; 28.092; 29.978 90; 95.63; 90	12345	Shakirova, Julia R.; Grachova, Elena V.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Melnikov, Alexey S.; Gimeno, M Concepción; Laguna, Antonio; Tunik, Sergey P. Polynuclear cage-like Au(i) phosphane complexes based on a S(2-) template: observation of multiple luminescence in coordinated polyaromatic systems. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2516-2523
4349684	CIF	C108 H84 Br2 Cd4 N6 O12	P 1 21/c 1	15.217; 23.666; 13.238 90; 93.215; 90	4759.8	Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties Inorganic Chemistry Frontiers, 2017, 4, 764
7120357	CIF	C108 H84 Fe3 N42 S6	R -3	26.055; 26.055; 14.824 90; 90; 120	8715.2	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120358	CIF	C108 H84 Fe3 N42 S6	R -3	25.68; 25.68; 14.745 90; 90; 120	8421	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120359	CIF	C108 H84 Fe3 N42 S6	R -3	25.963; 25.963; 14.808 90; 90; 120	8644	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120360	CIF	C108 H84 Fe3 N42 S6	R -3	25.585; 25.585; 14.734 90; 90; 120	8353	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120361	CIF	C108 H84 Fe3 N42 S6	R -3	25.473; 25.473; 14.735 90; 90; 120	8280	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120362	CIF	C108 H84 Fe3 N42 S6	R -3	25.514; 25.514; 14.737 90; 90; 120	8308	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120363	CIF	C108 H84 Fe3 N42 S6	R -3	25.999; 25.999; 14.815 90; 90; 120	8673	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120364	CIF	C108 H84 Fe3 N42 S6	R -3	25.94; 25.94; 14.801 90; 90; 120	8625	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120365	CIF	C108 H84 Fe3 N42 S6	R -3	25.543; 25.543; 14.731 90; 90; 120	8324	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120366	CIF	C108 H84 Fe3 N42 S6	R -3	25.5; 25.5; 14.736 90; 90; 120	8298	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120367	CIF	C108 H84 Fe3 N42 S6	R -3	25.3984; 25.3984; 14.7341 90; 90; 120	8231.3	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120368	CIF	C108 H84 Fe3 N42 S6	R -3	26.01; 26.01; 14.817 90; 90; 120	8681	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120369	CIF	C108 H84 Fe3 N42 S6	R -3	25.9; 25.9; 14.79 90; 90; 120	8592	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120370	CIF	C108 H84 Fe3 N42 S6	R -3	25.525; 25.525; 14.733 90; 90; 120	8313	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
7120371	CIF	C108 H84 Fe3 N42 S6	R -3	25.986; 25.986; 14.814 90; 90; 120	8663	Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun., 2017
1560522	CIF	C108 H84 N4 O28 Zn4	P -1	14.6653; 17.024; 19.986 104.956; 94.751; 92.754	4791.6	Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing Journal of Solid State Chemistry, 2017, 249, 87-97
4131612	CIF	C108 H86 Cl6 F18 N14 O8 S Zn	P 1 21/n 1	14.8223; 30.7285; 27.9264 90; 97.487; 90	12611.1	Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality. Journal of the American Chemical Society, 2017, 139, 13847-13857
7044347	CIF	C108.5 H65 B2 F47 N4 P	P -1	15.5736; 17.498; 18.9275 83.61; 89.0867; 73.915	4924.6	Mehta, Meera; Johnstone, Tim; Lam, Jolie; Bidraha, Bid; Hermannsdorfer, Andre; Driess, Matthias; Stephan, Douglas W. Synthesis and Oxidation of Phosphine Cations† Dalton Trans., 2017
7119909	CIF	C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25	P -3	25.3416; 25.3416; 16.5233 90; 90; 120	9189.6	Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26. Chemical communications (Cambridge, England), 2017, 53, 4767-4770
4131257	CIF	C108.9 H90 Cu6 F3.3 O2.71 P6.1 S0.9	P -1	15.0213; 25.1312; 28.3846 114.492; 98.338; 92.257	9588.9	Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W. Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>. Journal of the American Chemical Society, 2017, 139, 7685-7688
4344995	CIF	C109 H106 Cl6 N2 P4 Ru2	P -1	9.848; 14.954; 16.443 77.951; 89.872; 80.65	2335.4	Zhang, Jing; Guo, Shen-Zhen; Dong, Yu-Bao; Rao, Li; Yin, Jun; Yu, Guang-Ao; Hartl, František; Liu, Sheng Hua Multistep Oxidation of Diethynyl Oligophenylamine-Bridged Diruthenium and Diiron Complexes. Inorganic chemistry, 2017, 56, 1001-1015
7043991	CIF	C109 H120 Mg2 N12	P 1 21/c 1	18.885; 12.5765; 21.644 90; 115.462; 90	4641.3	D'Auria, Ilaria; Tedesco, Consiglia; MAZZEO, Mina; Pellecchia, Claudio New homoleptic bis(pyrrolylpyridiylimino) Mg(II) and Zn(II) complexes as catalysts for the ring opening polymerization of cyclic esters via an "activated monomer" mechanism. Dalton Trans., 2017
1547340	CIF	C109 H124 B2 F8 N4 O9	P -1	14.2079; 18.9576; 20.1063 97.249; 100.114; 108.536	4957.8	Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J. Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes Chem. Sci., 2017
4126932	CIF	C109 H131 N6 P Y3	P -1	16.134; 16.74; 23.731 77.644; 74.669; 69.197	5727	Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study. Journal of the American Chemical Society, 2017
4349447	CIF	C109 H135 Co2 F24 N20 O2.5 P4	P -1	14.3893; 20.5352; 22.0651 95.201; 104.364; 99.178	6177.2	Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes. Inorganic chemistry, 2017, 56, 5930-5940
4125639	CIF	C109 H146 F3 Ir2 N2 O9 P2 S	P 21 21 21	17.6216; 18.3846; 32.285 90; 90; 90	10459.2	Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids. Journal of the American Chemical Society, 2017, 139, 541-547
7042775	CIF	C109 H153 Cr2 Gd2 N25 Ni4 O34	P 1 21/c 1	16.7191; 22.611; 19.4149 90; 105.935; 90	7057.5	Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong Metallocyclic Ni4Ln2M2 single-molecule magnets Dalton Trans., 2017
7042768	CIF	C109 H153 Fe2 N25 Ni4 O34 Y2	P 1 21/c 1	19.9854; 15.9047; 27.4868 90; 128.541; 90	6833.8	Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong Metallocyclic Ni4Ln2M2 single-molecule magnets Dalton Trans., 2017
4126971	CIF	C109 H154 Ag20 N4 O21 S10	P -1	13.3254; 17.0097; 17.0989 68.069; 76.262; 76.778	3449.91	Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality. Journal of the American Chemical Society, 2017
4038951	CIF	C109 H28 N12 S6	P a -3	18.9035; 18.9035; 18.9035 90; 90; 90	6755	Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045
7043157	CIF	C109 H54 B2 Cl2 F48 N6 O6 Re2	P -1	13.0148; 15.8291; 16.0675 117.48; 96.95; 104.506	2733.03	Arévalo, Rebeca; Vogels, Christopher M.; MacNeil, Gregory; Riera, Lucia; Perez, Julio; Westcott, Steve Rhenium-Catalysed Hydroboration of Aldehydes and Aldimines Dalton Trans., 2017
1546068	CIF	C109 H90 B Cl6 O Os P3	P -1	13.8163; 18.0472; 18.3229 79.946; 89.601; 82.37	4458.1	He, Xumin; He, Xiehua; Li, Shenyan; Zhuo, Kaiyue; Qin, Weixiang; Dong, Shuyu; Chen, Jiangxi; Ren, Lei; Liu, Gang; Xia, Haiping Amphipathic Metal-Containing Macromolecules with Photothermal Properties Polym. Chem., 2017
7236733	CIF	C109 H90 B2 Cl10 Cu2 F8 N6 O2 P4	P -1	15.16; 17.601; 23.446 74.285; 87.1; 65.415	5462.5	Lin, Ling; Chen, Dong-Hui; Yu, Rongmin; Chen, Xu-Lin; Zhu, Wen-Juan; Liang, Dong; Chang, Jian-Fei; Zhang, Qing; Lu, Can-Zhong Photo- and electro-luminescence of three TADF binuclear Cu(i) complexes with functional tetraimine ligands Journal of Materials Chemistry C, 2017, 5, 4495
1548413	CIF	C109 H96 Ag16 F32 N16 O45	R -3	50.0474; 50.0474; 32.7348 90; 90; 120	71007.4	Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls Philosophical Transactions of the Royal Society A, 2017, 375, 1-16
7228204	CIF	C109 H98 Cu3 F N4 O3 P6	P 1 2/c 1	19.431; 20.455; 25.426 90; 91.9; 90	10100	Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures CrystEngComm, 2017, 19, 2349
4032391	CIF	C109.5 H36 N3 S5 Sc3	P -1	10.9903; 17.558; 19.758 99.562; 105.779; 107.217	3376.1	Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release. The Journal of organic chemistry, 2017, 82, 3500-3505
7235188	CIF	C11 H0 N2 O5 S Zn	R -3 m :H	19.1998; 19.1998; 37.747 90; 90; 120	12050.5	Dian Zhao; Dan Yue; Ke Jiang; Yuanjing Cui; Qi Zhang; Yu Yang; Guodong Qian Ratiometric dual-emitting MOF dye thermometers with a tunable operating range and sensitivity Journal of Materials Chemistry C, 2017, 5, 1607-1613
2242091	CIF HKL	C11 H10 Ag N5 O4	P c a 21	17.522; 8.9559; 8.986 90; 90; 90	1410.1	Cati, Dilovan S.; Stoeckli-Evans, Helen The silver(I) nitrate complex of the ligand <i>N</i>-(pyridin-2-ylmethyl)pyrazine-2-carboxamide: a metal‒organic framework (MOF) structure Acta Crystallographica Section E, 2017, 73, 535-538
7056617	CIF	C11 H10 B Cl2 F2 N7	P b c a	9.7915; 10.7841; 28.665 90; 90; 90	3026.8	Yousaf, Muhammad; Yutronkie, Nathan J.; Castañeda, Raúl; Klein, Jacob A.; Brusso, Jaclyn Boratriazines: inducing luminescence through boron incorporation into a terpy-type framework New J. Chem., 2017
1546445	CIF	C11 H10 B I N4	P n n m	8.8243; 10.9964; 12.7995 90; 90; 90	1242.01	Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017
7155565	CIF	C11 H10 Br N O4 S	P 1 21/n 1	8.1512; 16.7902; 9.2892 90; 97.105; 90	1261.6	Wang, Ruijia; Xiang, Jiannan; Zou, Huaxu; Xiong, Yi; Yi, Niannian; Deng, Wei PhI(OAc)2-Mediated 1,2-Aminohalogenation of Alkynes: A General Access to (E)-4-(Halomethylene)oxazolidin-2-ones Org. Biomol. Chem., 2017
7228696	CIF	C11 H10 Br0 N O	P -1	7.152; 8.1484; 20.7756 90.232; 98.462; 113.488	1095.71	Blesic, Marijana; Gilmore, Brendan F.; Holbrey, John D.; Jacquemin, Johan; Level, Gaelle; Nockemann, Peter; Stella, Lorenzo An introduction to zwitterionic salts Green Chem., 2017
4514241	CIF	C11 H10 Br2 F N O	P 21 21 21	9.35893; 14.2993; 17.3085 90; 90; 90	2316.33	Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183
4514245	CIF	C11 H10 Br2 F N O	P 21 21 21	9.36317; 14.3078; 17.31825 90; 90; 90	2320.06	Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183
4514240	CIF	C11 H10 Br2 F N S	C 1 2 1	17.9328; 6.97043; 20.1733 90; 95.8396; 90	2508.56	Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183
4514242	CIF	C11 H10 Br2 F N S	C 1 2 1	17.9398; 6.9704; 20.1721 90; 95.826; 90	2509.44	Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors ACS Medicinal Chemistry Letters, 2017, 8, 1183
4032561	CIF	C11 H10 Br2 N4 O	P 1 21/n 1	9.9156; 12.085; 12.04 90; 112.791; 90	1330.1	Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles. The Journal of organic chemistry, 2017, 82, 6163-6171
4032562	CIF	C11 H10 Br2 N4 O	P 1 21/c 1	14.851; 6.8378; 13.732 90; 109.703; 90	1312.8	Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles. The Journal of organic chemistry, 2017, 82, 6163-6171
7228800	CIF	C11 H10 Cl Cu N7 O7	P 1 21/c 1	9.3161; 26.987; 13.2722 90; 101.64; 90	3268.2	Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies CrystEngComm, 2017
1545030	CIF	C11 H10 Cl N O2 S	P -1	5.6654; 8.296; 13.194 83.624; 85.285; 79.966	605.6	Modi, Anju; Ali, Wajid; Patel, Bhisma K. Organocatalytic Regioselective Concomitant Thiocyanation and Acylation of Oxiranes Using Aroyl Isothiocyanates. Organic letters, 2017
7119249	CIF	C11 H10 F0.25 N O	P -1	8.4538; 9.4567; 10.8021 89.874; 74.59; 81.932	823.73	Ke, Miaolin; Song, Qiuling Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles. Chemical communications (Cambridge, England), 2017, 53, 2222-2225
7119250	CIF	C11 H10 F0.25 N O	P 1 21/n 1	10.9946; 7.5522; 11.4653 90; 97.431; 90	944.01	Ke, Miaolin; Song, Qiuling Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles. Chemical communications (Cambridge, England), 2017, 53, 2222-2225
4125431	CIF	C11 H10 F2 O2 S	P n a 21	6.7725; 13.8233; 11.1737 90; 90; 90	1046.1	Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226
4125438	CIF	C11 H10 F2 O2 S	P 21 21 21	6.7965; 11.0812; 13.9075 90; 90; 90	1047.42	Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226
4125685	CIF	C11 H10 F2 O2 S	P 21 21 21	6.7986; 11.0791; 13.905 90; 90; 90	1047.36	Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226
7120546	CIF	C11 H10 F6 N O2 P Ru	P 1 21/n 1	8.1716; 12.4722; 13.2874 90; 91.5709; 90	1353.71	Pike, Jack A.; Walton, James William Nucleophilic Trifluoromethylation of Electron-Deficient Arenes Chem. Commun., 2017
1556043	CIF	C11 H10 F7 N3 O2	P 1 21/c 1	16.1302; 7.5328; 12.1195 90; 90.161; 90	1472.6	Wang, Rui; Guan, Wei; Han, Zheng-Bo; Liang, Fushun; Suga, Takeo; Bi, Xihe; Nishide, Hiroyuki Ambient-Light-Promoted Three-Component Annulation: Synthesis of Perfluoroalkylated Pyrimidines. Organic letters, 2017, 19, 2358-2361
7228198	CIF	C11 H10 N O	P 1 21/n 1	8.0248; 12.175; 10.5501 90; 100.48; 90	1013.57	Zhao, Hai-Yuan; Wang, Ying-chun; Cao, Xiao-Lin; Pang, Qiu-Fang; Wang, Heng-shan; Pan, Ying-ming Synthesis of fused tricyclic indolizines by intramolecular silver-mediated double cyclization of 2-(pyridin-2-yl)acetic acid propargyl esters RSC Adv., 2017, 7, 24011
7228260	CIF	C11 H10 N O7 Tb	P 1 21/n 1	13.388; 6.6366; 15.567 90; 98.599; 90	1367.6	Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase CrystEngComm, 2017
4032899	CIF	C11 H10 N2 O	P 21 21 21	5.608; 8.703; 20.091 90; 90; 90	980.6	Meng, Fei; Zhang, Honglin; Guo, Kang; Dong, Jiayue; Lu, Ai-Min; Zhu, Yingguang Access to Cyano-Containing Isoxazolines via Copper-Catalyzed Domino Cyclization/Cyanation of Alkenyl Oximes. The Journal of organic chemistry, 2017, 82, 10742-10747
1543896	CIF	C11 H10 N2 O2	P 1 21/c 1	3.9225; 10.7762; 23.142 90; 93.453; 90	976.43	Gupta, Vinod Kumar; Singh, Ram Adhar Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study. Faraday discussions, 2017, 196, 131-142
1546554	CIF HKL Paper	C11 H10 N2 O2	P -1	3.7716; 10.3959; 12.328 78.017; 83.431; 81.266	465.63	Lahmidi, Sanae; Abad, Nadeem; Boulhaoua, Mohammed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one IUCrData, 2017, 2, x170991
7228239	CIF	C11 H10 N2 O3	P 1 21/c 1	7.1055; 10.956; 14.797 90; 118.699; 90	1010.4	Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides CrystEngComm, 2017
7056097	CIF	C11 H10 N2 O4	P -1	9.1088; 9.372; 13.9495 97.358; 92.518; 118.232	1033.06	., Mayank; Singh, Amanpreet; Raj, Pushap; Kaur, Randeep; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder Zwitterionic Liquid (ZIL) Coated CuO as an Efficient Catalyst for the Green Syntheses of Bis-Coumarins derivatives via One-Pot Multi-component Reactions Using Mechanochemistry New J. Chem., 2017
1545406	CIF	C11 H10 N2 O5	P b c a	4.8748; 17.909; 23.571 90; 90; 90	2057.8	Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361