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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
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
2020909	CIF HKL	C3 B Li0.96	P -6 m 2	2.5408; 2.5408; 7.5989 90; 90; 120	42.484	Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut LiBC~3~: a new borocarbide based on graphene and heterographene networks Acta Crystallographica Section C, 2017, 73, 984-989
1548344	CIF	Ga0.3333 Ge0.3333 N Zn0.3333	P 63 m c	3.19186; 3.19186; 5.18498 90; 90; 120	45.7473	Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi Quaternary Wurtzitic Nitrides in the System ZnGeN2‒GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst The Journal of Physical Chemistry C, 2017, 121, 27590
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
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
7043109	CIF	Nb0.4 O3 Sr0.8 Ti0.6	P m -3 m	3.928119; 3.928119; 3.928119 90; 90; 90	60.6113	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
7043106	CIF	Nb0.4 O3 Sr0.8 Ti0.6	P m -3 m	3.93076; 3.93076; 3.93076 90; 90; 90	60.7337	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
7043104	CIF	Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06	P m -3 m	3.942582; 3.942582; 3.942582 90; 90; 90	61.2833	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
7043110	CIF	Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06	P m -3 m	3.943; 3.943; 3.943 90; 90; 90	61.3028	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
7043102	CIF	Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12	P m -3 m	3.956674; 3.956674; 3.956674 90; 90; 90	61.9428	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
1547150	CIF	Nb0.5 Ni0.25 O2 Ti0.25	P 42/m n m	4.69413; 4.69413; 3.02187 90; 90; 90	66.5865	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547148	CIF	Co0.05 Nb0.5 Ni0.2 O2 Ti0.25	P 42/m n m	4.69708; 4.69708; 3.02426 90; 90; 90	66.7229	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547149	CIF	Co0.1 Nb0.5 Ni0.15 O2 Ti0.25	P 42/m n m	4.69859; 4.69859; 3.02607 90; 90; 90	66.8058	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547147	CIF	Co0.15 Nb0.5 Ni0.1 O2 Ti0.25	P 42/m n m	4.70025; 4.70025; 3.02805 90; 90; 90	66.8967	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547146	CIF	Co0.2 Nb0.5 Ni0.05 O2 Ti0.25	P 42/m n m	4.7024; 4.7024; 3.03052 90; 90; 90	67.0126	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547151	CIF	Co0.25 Nb O2 Ti0.25	P 42/m n m	4.70411; 4.70411; 3.03242 90; 90; 90	67.1034	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
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
7228524	CIF	Se	P 31 2 1	4.3125; 4.3125; 4.9711 90; 90; 120	80.065	Boeré, René; Hill, Nathan D. D. High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls CrystEngComm, 2017
4345680	CIF	Ga Re Si	P 4/n m m	3.1942; 3.1942; 8.054 90; 90; 90	82.17	Xie, Weiwei; Gustin, Lea; Bian, Guang 111-Type Semiconductor ReGaSi Follows 14e(-) Rules. Inorganic chemistry, 2017
4126741	CIF	Fe2 O4.846 Yb	P -1	3.4659; 3.4659; 8.3694 90; 90; 120	87.068	Nicoud, Sarah; Huvé, Marielle; Hernandez, Olivier; Pautrat, Alain; Duttine, Mathieu; Wattiaux, Alain; Colin, Claire; Kabbour, Houria; Mentré, Olivier Comprehensive Study of Oxygen Storage in YbFe2O4+x (x ≤ 0.5): Unprecedented Coexistence of FeOn Polyhedra in One Single Phase. Journal of the American Chemical Society, 2017
4002732	CIF	Ca N2 Ti	P m m n :2	3.9365; 3.6131; 7.5421 90; 90; 90	107.27	Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran High-Dielectric-Permittivity Layered Nitride CaTiN2 Chemistry of Materials, 2017
4002733	CIF	Ca N2 Ti	P 21 m n	3.9365; 3.6137; 7.543 90; 90; 90	107.3	Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran High-Dielectric-Permittivity Layered Nitride CaTiN2 Chemistry of Materials, 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
8106647	CIF	C4 H5 N3 O2	P 1	3.8976; 5.7235; 6.267 89.63; 84.8; 76.97	135.63	Jianlong, Wang; Pengbao, Lian; Lizhen, Chen Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 699-700
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
1546929	CIF	C2 D5 N O2	P 1 n 1	5.023; 5.9846; 5.4946 90; 114.654; 90	150.11	Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574
1546928	CIF	C2 D5 N O2	I 1	5.1; 6.285; 5.4295 85.815; 114.456; 104.136	153.545	Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574
1546931	CIF	C2 D5 N O2	I 1	5.1029; 6.345; 5.4331 85.91; 114.26; 103.55	155.85	Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574
2242273	CIF Paper	Ce H2 O6 P2	P -3 m 1	5.6859; 5.6859; 5.6099 90; 90; 120	157.067	Byer, Stefano H.; Villa, Eric M. Synthesis and crystal structure of cerium(IV) bis(phosphite) Acta Crystallographica Section E, 2017, 73, 1290-1293
1546930	CIF	C2 D5 N O2	P 1 21 1	5.0907; 6.25954; 5.3871 90; 113.261; 90	157.709	Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574
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
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
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
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
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
1548796	CIF HKL Paper	O2 Te	P 21 21 21	4.8809; 8.5668; 4.3433 90; 90; 90	181.609	Weil, Matthias Redetermination of the γ-form of tellurium dioxide IUCrData, 2017, 2
4002700	CIF	Gd H2 N O5	P 1 21 1	6.355; 3.723; 7.749 90; 96.919; 90	182	Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems Chemistry of Materials, 2017
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
3500064	CIF	C2 Na2 O4	P 1 21/c 1	3.48379; 5.2591; 10.42762 90; 93.0959; 90	190.772	Armel Le Bail Rietveld refinement of the structure of Na2C2O4 Personal communication to COD, 2017
7155755	CIF	C3 Br N	P 1 21/m 1	5.095; 6.1734; 6.2035 90; 95.735; 90	194.14	Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann One-step synthesis of conjugated enynenitriles from bromocyanoacetylene. Organic & biomolecular chemistry, 2017
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
4002701	CIF	H2 La N O5	P 1 21 1	6.495; 3.967; 7.784 90; 99.913; 90	197.6	Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems Chemistry of Materials, 2017
7227895	CIF	C6 H4 Cl2 N2 Ni	P 1 1 m	9.50494; 7.58104; 3.513186 90; 90; 128.019	199.433	Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U. 4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction CrystEngComm, 2017, 19, 2216
1556752	CIF	Cu1.95 Se	F m -3 m	5.8449; 5.8449; 5.8449 90; 90; 90	199.678	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
1547158	CIF	Ni0.25 O2 Ta0.5 Ti0.25	P 42/m n m	4.6946; 4.6946; 9.0829 90; 90; 90	200.18	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547157	CIF	Co0.05 Ni0.2 O2 Ta0.5 Ti0.25	P 42/m n m	4.6973; 4.6973; 9.0891 90; 90; 90	200.548	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1556753	CIF	Cu1.94 Se	F m -3 m	5.8538; 5.8538; 5.8538 90; 90; 90	200.592	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
1547156	CIF	Co0.1 Ni0.15 O2 Ta0.5 Ti0.25	P 42/m n m	4.6989; 4.6989; 9.094 90; 90; 90	200.79	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547155	CIF	Co0.15 Ni0.1 O2 Ta0.5 Ti0.25	P 42/m n m	4.6998; 4.6998; 9.0986 90; 90; 90	200.971	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
2108027	CIF HKL Paper	Fe2 O3	C 1 2/c 1	9.61865; 5.03554; 13.75158 90; 162.404; 90	201.349	Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32
1547153	CIF	Co0.2 Ni0.05 O2 Ta0.5 Ti0.25	P 42/m n m	4.7024; 4.7024; 9.1061 90; 90; 90	201.359	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547154	CIF	Co0.25 O2 Ta0.5 Ti0.25	P 42/m n m	4.7065; 4.7065; 9.1164 90; 90; 90	201.939	Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y. Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property Journal of Asian Ceramic Societies, 2017, 289, 5-284
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
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
2108028	CIF HKL Paper	Fe2 O3	C 1 2/c 1	9.6892; 5.08737; 13.84868 90; 162.351; 90	206.967	Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32
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
2020805	CIF HKL Paper	H4 Mg Na2 O10 Se2	P -1	5.556; 5.923; 7.224 108.36; 99.07; 106.63	208	Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O Acta Crystallographica Section C, 2017, 73, 582-587
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
1548859	CIF	Ca Cl2 Cu3 H7.58 O6.79	P -3 m 1	6.6615; 6.6615; 5.8023 90; 90; 120	222.985	Crichton, Wilson A.; Müller, Harald Centennialite, CaCu3(OH)6Cl2.nH2O, n ≈ 0.7, a new kapellasite-like species, and a reassessment of calumetite Mineralogical Magazine, 2017, 81, 1105
7227414	CIF	C2 H4 N2 O3	P 1 21/m 1	4.8755; 5.9345; 7.808 90; 99.205; 90	223	Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott Lewis Acid stabilization and Activation of Primary N-Nitrosamides RSC Adv., 2017
1548454	CIF	C3 H5 Li O3	P 1 21 1	4.5412; 4.8838; 10.1982 90; 98.226; 90	223.85	Mondal, Arobendo; Gaultois, Michael W.; Pell, Andrew J.; Iannuzzi, Marcella; Grey, Clare P.; Hutter, Jürg; Kaupp, Martin Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K. Journal of chemical theory and computation, 2017
7043489	CIF	Cl3 Cu3 Gd H6 O6	P -3 m 1	6.7982; 6.7982; 5.6062 90; 90; 120	224.38	Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides Dalton Trans., 2017
7043488	CIF	Cl3 Cu3 H6 O6 Sm	P -3 m 1	6.8227; 6.8227; 5.6249 90; 90; 120	226.76	Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides Dalton Trans., 2017
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
1547566	CIF	C4 H4 N2 O2	P 1 n 1	3.8868; 5.4329; 10.8693 90; 97.068; 90	227.78	Rozen, Shlomo; Shaffer, Avshalom Synthesis of N,N-Dioxopyridazines. Organic letters, 2017, 19, 4707-4709
7043490	CIF	Cl3 Cu3 H6 Nd O6	P -3 m 1	6.8645; 6.8645; 5.6391 90; 90; 120	230.12	Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides Dalton Trans., 2017
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
4345256	CIF	D0.2 Ge Sr	C m c m	4.7659; 11.8281; 4.1542 90; 90; 90	234.18	Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Holger Kohlmann In Situ Hydrogenation of the Zintl Phase SrGe Inorganic Chemistry, 2017, 56, 1072-1079
1548783	CIF	F4 N2 Na O6 Pb3	I 4/m m m	4.04064; 4.04064; 14.39848 90; 90; 90	235.081	Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures Solid State Sciences, 2017, 71, 111-116
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
4518393	CIF HKL	C12 H6 N4	P -1	3.7577; 5.8815; 10.9271 94.985; 94.575; 94.803	238.82	Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile Crystal Growth and Design, 2017, 17, 5242-5248
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
4002872	CIF	C4 H4 Co N14	P -1	5.2315; 6.0448; 8.497 71.411; 74.31; 79.01	243.58	Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances Chemistry of Materials, 2017, 29, 9725
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
7043105	CIF	Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12	I 4/m c m	5.595; 5.595; 7.9158 90; 90; 90	247.8	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
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
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
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
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
7043111	CIF	Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36	I 4/m c m	5.664962; 5.664962; 8.01659 90; 90; 90	257.267	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
7043103	CIF	Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36	I 4/m c m	5.6682; 5.6682; 8.017 90; 90; 90	257.57	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
1560509	CIF	Cd2 O11 Te2 V2	P -1	5.3673; 5.7139; 9.0124 80.268; 73.866; 78.544	258.31	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
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
7228817	CIF	N2 O Pr Ta	P n m a	5.6848; 8.0116; 5.6808 90; 90; 90	258.728	Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr) Phys. Chem. Chem. Phys., 2017
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
1560353	CIF	Li0.19 N0.23 Nb0.81 O2.77 Sr	I 4/m c m	5.67715; 5.67715; 8.0495 90; 90; 90	259.44	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
1560355	CIF	Mg0.22 N0.4 Nb0.78 O2.6 Sr	I 4/m c m	5.67651; 5.67651; 8.0758 90; 90; 90	260.22	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
7042128	CIF	Cu Fe K0.94 Te2	I 4/m m m	4.2148; 4.2148; 14.7286 90; 90; 90	261.65	Sun, Fan; Guo, Zhongnan; Liu, Ning; Lin, Kun; Wang, Da; Yuan, Wenxia KFeCuTe2: a new compound to study the removal of interstitial Fe in layered tellurides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3649-3654
7043107	CIF	Nb0.4 O3 Sr0.8 Ti0.12 Zr0.48	I 4/m c m	5.694282; 5.694282; 8.077236 90; 90; 90	261.903	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
4002871	CIF	C4 H4 Cd N14	P -1	5.3664; 6.2313; 8.7401 70.5; 73.152; 79.38	262.43	Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances Chemistry of Materials, 2017, 29, 9725
7228816	CIF	La N2 O Ta	I m m a	5.70714; 8.0548; 5.74023 90; 90; 90	263.878	Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr) Phys. Chem. Chem. Phys., 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
1547848	CIF	N Nb O2 Sr	I 4/m c m	5.71115; 5.71115; 8.10243 90; 90; 90	264.279	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
1560354	CIF	N0.18 Na0.2 Nb0.8 O2.82 Sr	I 4/m c m	5.71841; 5.71841; 8.1222 90; 90; 90	265.6	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
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
7043112	CIF	Nb0.4 O3 Sr0.8 Zr0.6	I 4/m c m	5.725077; 5.725077; 8.132035 90; 90; 90	266.54	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
7043108	CIF	Nb0.4 O3 Sr0.8 Zr0.6	I 4/m c m	5.72625; 5.72625; 8.13217 90; 90; 90	266.653	Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert Tailoring phase transition temperatures in perovskites via A-site vacancy generation Dalton Trans., 2017
7227415	CIF	C3 H6 N2 O3	P 1 21/m 1	4.7863; 6.0338; 9.375 90; 99.945; 90	266.68	Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott Lewis Acid stabilization and Activation of Primary N-Nitrosamides RSC Adv., 2017
1547709	CIF	C7 H14 I N O4	P m -3 m	6.437; 6.437; 6.437 90; 90; 90	266.7	Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions Nature Communications, 2017, 8, 14934
1548469	CIF	Fe0.48 Mg0.52 O3 Si	R -3 :H	4.7483; 4.7483; 13.665 90; 90; 120	266.82	Luca Bindi; Ming Chen; Xiande Xie Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite Scientific Reports, 2017, 7, 42674
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
1560571	CIF	O4 P Sm	P 31 2 1	7.038998; 7.038998; 6.370215 90; 90; 120	273.342	Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy) Journal of Solid State Chemistry, 2017, 249, 221-227
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
7042558	CIF	Na4 Ni O6 Te	P -1	5.405; 5.668; 9.565 73.026; 89.644; 80.439	276.1	He, Zhangzhen; Guo, Wenbin; Cui, Meiyan; Tang, Yingying Synthesis and magnetic properties of new tellurate compounds Na4MTeO6 (M = Co and Ni) with a ferromagnetic spin-chain structure. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5076-5081
7228334	CIF	Co0.96 Li0.94 O4 P	C m c m	5.4432; 8.1695; 6.2128 90; 90; 90	276.27	Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4 RSC Adv., 2017, 7, 28069
2108167	CIF	D3 O4 P	P 1 21/c 1	5.403; 4.7036; 10.9238 90; 92.633; 90	277.32	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7042497	CIF	C2 N12 O4 Rb2	P -1	5.3034; 7.0632; 8.5675 66.821; 86.667; 70.964	277.98	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
7228333	CIF	Co0.96 Li0.39 O4 P	C m c m	5.3385; 8.1763; 6.3716 90; 90; 90	278.115	Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4 RSC Adv., 2017, 7, 28069
4002876	CIF	Fe2 Ge3	P -4 c 2	5.5848; 5.5848; 8.94 90; 90; 90	278.84	Verchenko, Valeriy Yu.; Wei, Zheng; Tsirlin, Alexander A.; Callaert, Carolien; Jesche, Anton; Hadermann, Joke; Dikarev, Evgeny V.; Shevelkov, Andrei V. Crystal Growth of the Nowotny Chimney Ladder Phase Fe2Ge3: Exploring New Fe-Based Narrow-Gap Semiconductor with Promising Thermoelectric Performance Chemistry of Materials, 2017, 29, 9954
7042557	CIF	Co Na4 O6 Te	P 1 2/c 1	5.677; 9.524; 5.485 90; 109.47; 90	279.6	He, Zhangzhen; Guo, Wenbin; Cui, Meiyan; Tang, Yingying Synthesis and magnetic properties of new tellurate compounds Na4MTeO6 (M = Co and Ni) with a ferromagnetic spin-chain structure. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5076-5081
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
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
2108166	CIF	D3 O4 P	P 1 21/c 1	5.4357; 4.7148; 10.9698 90; 92.874; 90	280.78	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7236872	CIF	C8 H6 N2 O2 S4	P -1	4.7328; 5.6266; 10.8786 81.629; 80.329; 84.727	281.86	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
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
1560576	CIF	Co Li O4 P	P n m a	10.2155; 5.9163; 4.7025 90; 90; 90	284.21	Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17
1560574	CIF	Co Li O4 P	P n m a	10.211; 5.92075; 4.70581 90; 90; 90	284.498	Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17
1560575	CIF	Co Li O4 P	P n m a	10.2114; 5.92985; 4.70439 90; 90; 90	284.861	Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17
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
2108165	CIF	D3 O4 P	P 1 21/c 1	5.5049; 4.7401; 11.0668 90; 93.355; 90	288.28	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7226905	CIF	C6 H5 N3	P 1 21/m 1	4.3404; 7.7073; 8.6344 90; 91.363; 90	288.76	Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm, 2017, 19, 11
2108164	CIF	D3 O4 P	P 1 21/c 1	5.5356; 4.7522; 11.1169 90; 93.561; 90	291.88	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
4131505	CIF	C6 H14 Cl3 N2 Rb	P m -3 m	6.635; 6.635; 6.635 90; 90; 90	292.1	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
1560335	CIF	Ga H2 K O6 P2	P 63 m c	5.2567; 5.2567; 12.2582 90; 90; 120	293.348	Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites Journal of Solid State Chemistry, 2017, 255, 8-12
2311721	CIF	C4 H12 Cl4 Fe N	P 1 m 1	6.425; 7.148; 6.4274 90; 91.21; 90	295.12	Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2108163	CIF	D3 O4 P	P 1 21/c 1	5.5686; 4.7647; 11.1762 90; 93.81; 90	295.88	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
4125730	CIF	Fe Ga O3	R 3 c :H	5.01871; 5.01871; 13.5879 90; 90; 120	296.392	Niu, Hongjun; Pitcher, Michael J.; Corkett, Alex J.; Ling, Sanliang; Mandal, Pranab; Zanella, Marco; Dawson, Karl; Stamenov, Plamen; Batuk, Dmitry; Abakumov, Artem M.; Bull, Craig L.; Smith, Ronald I.; Murray, Claire A.; Day, Sarah J.; Slater, Ben; Cora, Furio; Claridge, John B.; Rosseinsky, Matthew J. Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling. Journal of the American Chemical Society, 2017, 139, 1520-1531
1556747	CIF	Cu1.95 Se	R -3 m :H	4.0922; 4.0922; 20.459 90; 90; 120	296.71	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
2021895	CIF	O5 Rb2 Ti2	C 1 2/m 1	11.3457; 3.8195; 6.9699 90; 100.359; 90	297.12	Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
1556754	CIF	Cu1.77 Se	R -3 m :H	4.1017; 4.1017; 20.42 90; 90; 120	297.52	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
7042506	CIF	C6 H8 N10 O4	P -1	4.1866; 7.2348; 10.3368 81.092; 83.309; 75.044	297.88	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
2311728	CIF	C4 H12 Cl4 Ga N	P 1 m 1	6.4571; 7.1456; 6.4596 90; 91.721; 90	297.91	Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2021896	CIF	O5 Rb2 Ti2	C 1 2/m 1	11.337; 3.8244; 6.9946 90; 100.308; 90	298.37	Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
2021897	CIF	O5 Rb2 Ti2	C 1 2/m 1	11.3419; 3.8198; 7.0103 90; 100.298; 90	298.82	Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
1556755	CIF	Cu1.89 Se	R -3 m :H	4.1019; 4.1019; 20.533 90; 90; 120	299.2	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
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
1556751	CIF	Cu1.95 Se	R -3 m :H	4.1327; 4.1327; 20.281 90; 90; 120	299.98	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
1556748	CIF	Cu1.95 Se	R -3 m :H	4.1227; 4.1227; 20.449 90; 90; 120	301	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
1556750	CIF	Cu1.95 Se	R -3 m :H	4.1323; 4.1323; 20.358 90; 90; 120	301.06	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
4126195	CIF	C14 H10 N2 O2 S2	P -1	3.8141; 5.585; 14.3443 95.385; 96.169; 94.844	301.07	Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers. Journal of the American Chemical Society, 2017, 139, 8355-8363
1556749	CIF	Cu1.95 Se	R -3 m :H	4.1299; 4.1299; 20.393 90; 90; 120	301.22	Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485
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
7229191	CIF	C4 H6 Cl N3	P -1	4.9992; 7.3893; 8.8313 72.451; 78.656; 79.41	302.26	Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases CrystEngComm, 2017
7119756	CIF	Mg Mn2 O4	I 41/a m d :2	5.753355; 5.753355; 9.132367 90; 90; 90	302.291	Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J. Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content. Chemical communications (Cambridge, England), 2017, 53, 3665-3668
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
2108162	CIF	D3 O4 P	P 1 21/c 1	5.6334; 4.78996; 11.3055 90; 94.255; 90	304.22	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7119755	CIF	Mg0.25 Mn0.5 O	I 41/a m d :2	5.721406; 5.721406; 9.298237 90; 90; 90	304.373	Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J. Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content. Chemical communications (Cambridge, England), 2017, 53, 3665-3668
4126720	CIF	In K S6 Sn2	R -3 m :H	3.6803; 3.6803; 26.1276 90; 90; 120	306.48	Xiao, Chengliang; Hassanzadeh Fard, Zohreh; Sarma, Debajit; Song, Tze-Bin; Xu, Chao; Kanatzidis, Mercouri G. Highly Efficient Separation of Trivalent Minor Actinides by a Layered Metal Sulfide (KInSn2S6) from Acidic Radioactive Waste. Journal of the American Chemical Society, 2017
1560337	CIF	Ga H2 O6 P2 Rb	P 63 m c	5.2702; 5.2702; 12.7619 90; 90; 120	306.973	Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites Journal of Solid State Chemistry, 2017, 255, 8-12
7227841	CIF	C4 H4 N2 O4	P 1 21/c 1	3.8306; 10.3433; 7.9532 90; 102.516; 90	307.63	Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V. π–hole interactions at work: crystal engineering with nitro-derivatives CrystEngComm, 2017, 19, 1933
4345959	CIF	K N O3	P n m a	6.2732; 5.391; 9.1288 90; 90; 90	308.725	Nelyubina, Yulia V.; Korlyukov, Alexander A.; Lyssenko, Konstantin A.; Fedyanin, Ivan V. Transferable Aspherical Atom Modeling of Electron Density in Highly Symmetric Crystals: A Case Study of Alkali-Metal Nitrates. Inorganic chemistry, 2017
1560336	CIF	Ga H6 N O6 P2	P 63 m c	5.2576; 5.2576; 12.9113 90; 90; 120	309.083	Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites Journal of Solid State Chemistry, 2017, 255, 8-12
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
2020899	CIF HKL Paper	C6 H8 N2	P 1 21/c 1	4.5031; 6.586; 10.572 90; 96.54; 90	311.5	Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. Adiponitrile at 100K Acta Crystallographica Section C, 2017, 73, 937-940
7056611	CIF	C6 H4 F2 N4 O12	P -1	6.1749; 6.3972; 9.0143 78.006; 80.204; 63.912	311.56	Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges New J. Chem., 2017
7043829	CIF	Cu P2 Th	I m m m	4.0259; 5.5982; 13.863 90; 90; 90	312.44	JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues Dalton Trans., 2017
9017279	CIF	Ca O4 S	B m m b	7.03276; 7.02381; 6.32712 90; 90; 90	312.539	Xu, H.; Guo, X.; Bai, J. Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K Physics and Chemistry of Minerals, 2017, 44, 125-135
2108161	CIF	D3 O4 P	P 1 21/c 1	5.6927; 4.81609; 11.4468 90; 94.704; 90	312.77	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
2108158	CIF	H3 O4 P	P 1 21/c 1	5.707; 4.82; 11.436 90; 94.75; 90	313.5	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
4131506	CIF	C6 H14 Br3 N2 Rb	P m -3 m	6.798; 6.798; 6.798 90; 90; 90	314.15	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
4125853	CIF	C4 H9 Br3 N2 Rb	P m -3 m	6.7999; 6.7999; 6.7999 90; 90; 90	314.42	Pan, Qiang; Liu, Zhi-Bo; Tang, Yuan-Yuan; Li, Peng-Fei; Ma, Rong-Wei; Wei, Ru-Yuan; Zhang, Yi; You, Yu-Meng; Ye, Heng-Yun; Xiong, Ren-Gen A Three-Dimensional Molecular Perovskite Ferroelectric: (3-Ammoniopyrrolidinium)RbBr3. Journal of the American Chemical Society, 2017
7042146	CIF	C4 H8 B2 O4	P 1 21/c 1	3.9115; 8.015; 10.187 90; 99.939; 90	314.58	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
2108107	CIF HKL Paper	C4 H12 I4 N2	P -1	6.4948; 7.4032; 8.0819 64.087; 67.276; 69.593	314.73	Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442
1547992	CIF	Gd2 O8 S	C 1 2/m 1	13.8759; 3.65767; 6.28415 90; 99.0574; 90	314.966	Xuejiao Wang; Maxim Molokeev; Qi Zhu; Ji-Guang Li Controlled Hydrothermal Crystallization of Anhydrous Ln2(OH)4SO4 as a New Family of Layered Rare-Earth Hydroxide (Ln=Eu-Lu and Y) Chemistry A European Journal, 2017, 23, 16034-16043
4345788	CIF	F2 Fe O2 Sb	C 1 2/c 1	11.9129; 4.9605; 5.5 90; 103.897; 90	315.5	Ali, Sk Imran; Kremer, Reinhard K.; Johnsson, Mats Hydrothermal Synthesis of the Oxofluoride FeSbO2F2-An Anti-ferromagnetic Spin S = 5/2 Compound. Inorganic chemistry, 2017, 56, 4663-4668
2311711	CIF	Li O3 Ta	R 3 c :H	5.148; 5.148; 13.767 90; 90; 120	315.97	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
4126950	CIF	C4 H12 Cl4 Fe N	P m -3 m	6.81; 6.81; 6.81 90; 90; 90	316	Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals. Journal of the American Chemical Society, 2017
2311710	CIF	Li Nb0.08 O3 Ta0.92	R 3 c :H	5.149; 5.149; 13.781 90; 90; 120	316.42	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311708	CIF	Li Nb0.36 O3 Ta0.64	R 3 c :H	5.149; 5.149; 13.786 90; 90; 120	316.53	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311709	CIF	Li Nb0.11 O3 Ta0.89	R 3 c :H	5.151; 5.151; 13.776 90; 90; 120	316.55	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311707	CIF	Li Nb0.4 O3 Ta0.6	R 3 c :H	5.147; 5.147; 13.798 90; 90; 120	316.56	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
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
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
2311705	CIF	Li Nb0.7 O3 Ta0.3	R 3 c :H	5.145; 5.145; 13.841 90; 90; 120	317.3	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311706	CIF	Li Nb0.47 O3 Ta0.53	R 3 c :H	5.147; 5.147; 13.834 90; 90; 120	317.39	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
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
2311704	CIF Paper	Li Nb O3	R 3 c :H	5.146; 5.146; 13.859 90; 90; 120	317.84	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
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
7056343	CIF	C3 H4 Li N7 O	P -1	3.4344; 9.898; 10.611 115.93; 92.17; 98.473	318.72	Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings New J. Chem., 2017
2242232	CIF HKL Paper	C6 H8 N4	P 1 21 1	5.6955; 3.8408; 14.592 90; 91.631; 90	319.07	Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide Acta Crystallographica Section E, 2017, 73, 1021-1025
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
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
1550125	CIF	Cu2 S4 Sn Zn	I -4 2 m	5.434; 5.434; 10.845 90; 90; 90	320.24	Munoz, M; Vera, E; Pineda, T; Guaspud, J Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies Journal of Physics: Conference Series, 2017, 786, 1-7
4345711	CIF	C4 H4 Cu I N2	P 1 2/c 1	4.2472; 6.89; 11.065 90; 98.104; 90	320.6	Malaestean, Iurie L.; Kravtsov, Victor Ch; Lipkowski, Janusz; Cariati, Elena; Righetto, Stefania; Marinotto, Daniele; Forni, Alessandra; Fonari, Marina S. Partial in Situ Reduction of Copper(II) Resulting in One-Pot Formation of 2D Neutral and 3D Cationic Copper(I) Iodide-Pyrazine Coordination Polymers: Structure and Emissive Properties. Inorganic chemistry, 2017
1545168	CIF	C15 H15 N S2	P -1	6.0518; 7.3418; 8.6695 68.482; 67.375; 69.41	320.67	Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study. The journal of physical chemistry. A, 2017, 121, 977-985
7229189	CIF	C4 H6 Br N3	P -1	5.0554; 7.5644; 9.029 72.096; 79.191; 80.625	320.68	Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases CrystEngComm, 2017
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
2311723	CIF	C4 Cl4 Fe N	P m -3 m	6.847; 6.847; 6.847 90; 90; 90	321	Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2108168	CIF	D3 O4 P	P 1 21/c 1	5.7466; 4.8378; 11.6028 90; 95.107; 90	321.29	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
2311729	CIF	C4 Cl4 Ga N	P m -3 m	6.8504; 6.8504; 6.8504 90; 90; 90	321.48	Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
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
2108160	CIF	D3 O4 P	P 1 21/c 1	5.7493; 4.83921; 11.617 90; 95.15; 90	321.9	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
4345564	CIF	Cu1.646 Li0.354 S4 Sn Zn	I -4	5.455; 5.455; 10.8253 90; 90; 90	322.129	Lafond, A.; Guillot-Deudon, C; Vidal, J.; Paris, M.; La, C.; Jobic, S. Substitution of Li for Cu in Cu2ZnSnS4: Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells. Inorganic chemistry, 2017, 56, 2712-2721
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
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
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
2108106	CIF HKL Paper	C4 H12 I4 N2	P -1	6.5154; 7.4946; 8.1299 64.759; 68.019; 69.5	324.27	Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442
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
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
7227721	CIF	C3 H3 Cl N3 Na O3	P 63/m m c	7.6807; 7.6807; 6.3662 90; 90; 120	325.246	Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl CrystEngComm, 2017, 19, 1366
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
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
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
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
4002705	CIF	Ca1.88 Li2 Mg2 N6 Si2 Sr0.12	C 1 2/m 1	5.5744; 9.8439; 6.017 90; 97.252; 90	327.535	Strobel, Philipp; Weiler, Volker; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang Luminescence of the Narrow-Band Red Emitting Nitridomagnesosilicate Li2(Ca1‒xSrx)2[Mg2Si2N6]:Eu2+ (x = 0‒0.06) Chemistry of Materials, 2017, 29, 1377
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
7227231	CIF	C6 H8 N4 O2	P 1 21/c 1	3.61996; 12.9546; 7.0224 90; 94.632; 90	328.24	Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910
1545798	CIF	Er0.07 La0.67 Mo4 Na1.33 O16 Sr1.33 Yb0.6	I 41/a :2	5.30628; 5.30628; 11.68195 90; 90; 90	328.924	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
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
2242256	CIF HKL Paper	Na O4 Tc	I 41/a	5.2945; 5.2945; 11.747 90; 90; 90	329.29	German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A. Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data Acta Crystallographica Section E, 2017, 73, 1037-1040
4125697	CIF	C6 H4 Br2	P 1 21/n 1	4.035; 5.763; 14.35 90; 97.21; 90	331.1	Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983
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
4125692	CIF	C7 H8 S	P 1 21/c 1	7.742; 7.223; 5.956 90; 92.953; 90	332.6	Forbes, Christina R.; Sinha, Sudipta K.; Ganguly, Himal K.; Bai, Shi; Yap, Glenn P. A.; Patel, Sandeep; Zondlo, Neal J. Insights into Thiol-Aromatic Interactions: A Stereoelectronic Basis for S-H/π Interactions. Journal of the American Chemical Society, 2017, 139, 1842-1855
1545797	CIF	Er0.13 La0.93 Mo4 Na1.33 O16 Sr1.33 Yb0.27	I 41/a :2	5.32926; 5.32926; 11.74788 90; 90; 90	333.652	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
1560573	CIF	Co0.99 Li1.01 O4 P	P n a 21	10.0256; 4.9631; 6.7157 90; 90; 90	334.16	Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17
7229438	CIF	C4 H10 Cl N O2	P 1 21/m 1	5.9059; 6.3964; 8.9893 90; 100.064; 90	334.36	Rademeyer, Melanie; van der Westhuizen, Belinda Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro CrystEngComm, 2017
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
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
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
1560572	CIF	Co1.03 Li0.95 O4 P	P n a 21	10.035; 4.967; 6.716 90; 90; 90	334.8	Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17
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
1545796	CIF	Er0.27 La1.07 Mo4 Na1.33 O16 Sr1.33	I 41/a :2	5.34061; 5.34061; 11.77693 90; 90; 90	335.903	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
2108132	CIF HKL	C7 H6 O2 S	P -1	3.863; 6.0337; 14.4721 91.302; 93.062; 92.925	336.29	Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid Acta Crystallographica Section B, 2017, 73, 626-633
7227237	CIF	C6 H2 N6 O2	P 1 21/c 1	6.46087; 5.62884; 9.37402 90; 99.3001; 90	336.426	Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910
2242257	CIF HKL Paper	Na O4 Tc	I 41/a :2	5.3325; 5.3325; 11.8503 90; 90; 90	336.97	German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A. Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data Acta Crystallographica Section E, 2017, 73, 1037-1040
2312021	CIF HKL Paper	C8 H8 N2	P 1 21/c 1	5.95; 6.765; 8.4363 90; 96.746; 90	337.225	Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N. Crystal structure of 2,2'-bi-pyrrole. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1517-1519
7236609	CIF	C3 H5 N9	P -1	4.94; 5.906; 12.109 97.538; 90.277; 105.359	337.4	Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds Journal of Materials Chemistry A, 2017, 5, 16767
4126462	CIF	C4 H11 N O2 S	P m n 21	7.733; 6.629; 6.587 90; 90; 90	337.7	Liniger, Marc; Liu, Yiyang; Stoltz, Brian M. Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids. Journal of the American Chemical Society, 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
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
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
1545795	CIF	La1.33 Mo4 Na1.33 O16 Sr1.33	I 41/a :2	5.36033; 5.36033; 11.82739 90; 90; 90	339.838	Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163
2311924	CIF Paper	C7 H7 Cl O	P 1 c 1	4.8622; 6.9718; 10.1539 90; 98.727; 90	340.21	Jandl, Christian; Pöthig, Alexander Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 810-813
1551077	CIF	Cr2 Mg2 O5	P b a m	9.6091; 12.4324; 2.8498 90; 90; 90	340.449	Ishii, T.; Tsujino, N.; Arii, H.; Fujino, K.; Miyajima, N.; Kojitani, H.; Kunimoto, T.; Akaogi, M. A shallow origin of so-called ultrahigh-pressure chromitites, based on single-crystal X-ray structure analysis of the high-pressure Mg2Cr2O5 phase, with modified ludwigite-type structure American Mineralogist, 2017, 102, 2113-2118
7044307	CIF	C3 H K N4 O5	P -1	6.8618; 7.1833; 7.7371 84.776; 82.401; 64.52	341	Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities Dalton Trans., 2017
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
7120256	CIF	C2 H0 Cu2 O6 S	P 1 21/m 1	5.6115; 6.0587; 10.068 90; 93.612; 90	341.62	Yang, Huimin; Fei, Honghan Exfoliation of a Two-Dimensional Cationic Inorganic Network as a New Paradigm for High-Capacity CrVI-Anion Capture Chem. Commun., 2017
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
7043830	CIF	Cu2 P2 Th	P n m a	8.9882; 3.8726; 9.8376 90; 90; 90	342.42	JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues Dalton Trans., 2017
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
7229732	CIF	Na3 P S4	P -4 21 c	6.9587; 6.9587; 7.0832 90; 90; 90	342.99	Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4 Journal of Materials Chemistry A, 2017, 5, 25025
7055970	CIF	C6 H8 N10 O10	P -1	6.7135; 6.7702; 8.1378 80.267; 76.307; 74.335	343.82	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
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
4126100	CIF	C8 H8 B N	P 1 21/c 1	7.85; 6.0119; 7.995 90; 112.37; 90	348.92	Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes. Journal of the American Chemical Society, 2017, 139, 6082-6085
7227262	CIF	C7 H7 Br0.5 Cl0.5 O	P 1 21 1	5.9892; 4.9395; 12.0858 90; 102.59; 90	348.94	Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653
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
2242181	CIF HKL Paper	C7 H10 O4	P 1 21 1	5.4143; 5.4176; 11.92 90; 90.977; 90	349.59	Tibhe, Gaurao D.; Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Suescun, Leopoldo Crystal structure and absolute configuration of (4<i>S</i>,5<i>R</i>,6<i>S</i>)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H) Acta Crystallographica Section E, 2017, 73, 606-609
4126239	CIF	C7 H5 Br F2	P 1 21/c 1	7.962; 7.097; 6.1966 90; 92.557; 90	349.8	Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J. CF2H, a Hydrogen Bond Donor. Journal of the American Chemical Society, 2017
7229733	CIF	Na3 P S4	I -4 3 m	7.06985; 7.06985; 7.06985 90; 90; 90	353.371	Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4 Journal of Materials Chemistry A, 2017, 5, 25025
7227216	CIF	C12 H16 Cl2 N2 O2	P 1	4.7532; 8.1538; 10.0237 113.997; 91.275; 90.003	354.801	Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T. Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene CrystEngComm, 2017, 19, 346
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
1546048	CIF	C9 H6 O2	P 1 21 1	3.97954; 15.2907; 5.8583 90; 94.237; 90	355.5	Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017
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
7227260	CIF	C7 H7 Br O	P 1 21 1	6.0614; 4.9572; 12.1601 90; 102.523; 90	356.69	Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653
7227261	CIF	C7.5 H8.5 Br0.5 O	P 1 21 1	6.044; 4.9739; 12.231 90; 103.69; 90	357.2	Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653
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
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
7702151	CIF	C3 Mn N O7 P	P 1 21 1	5.60643; 12.4389; 5.37101 90; 105.756; 90	360.489	Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties. Dalton transactions (Cambridge, England : 2003), 2017, 46, 16570-16579
7236918	CIF	C7 H5 Au O2 S	P 1	4.51809; 5.4084; 14.86056 84.8666; 86.2921; 88.2557	360.8	Veselska, Oleksandra; Okhrimenko, Larysa; Guillou, Nathalie; Podbevšek, Darjan; Ledoux, Gilles; Dujardin, Christophe; Monge, Miguel; Chevrier, Daniel M.; Yang, Rui; Zhang, Peng; Fateeva, Alexandra; Demessence, Aude An intrinsic dual-emitting gold thiolate coordination polymer, [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing J. Mater. Chem. C, 2017, 5, 9843
1546672	CIF HKL Paper	C7 H8 N2 O2	P 1 21 1	3.8872; 6.8386; 13.6279 90; 93.303; 90	361.67	Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M. Methyl 5-methylpyrazine-2-carboxylate IUCrData, 2017, 2, x170997
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
7044310	CIF	C3 H5 N5 O5	P -1	7.0339; 7.2398; 7.9636 84.593; 83.386; 64.874	364.26	Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities Dalton Trans., 2017
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
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
2311753	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0209; 5.0209; 16.7515 90; 90; 120	365.719	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
7119568	CIF	C5 H13 N O S	P 1 21/m 1	6.2849; 8.8158; 6.6483 90; 96.781; 90	365.78	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
2311755	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0206; 5.0206; 16.7875 90; 90; 120	366.46	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311754	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0214; 5.0214; 16.7931 90; 90; 120	366.7	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
1553650	CIF	C8 H8 F6 N4 Ni Si	P 4/m m m	6.99732; 6.99732; 7.49177 90; 90; 90	366.816	Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380
2311756	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0217; 5.0217; 16.8037 90; 90; 120	366.98	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311759	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0256; 5.0256; 16.782 90; 90; 120	367.07	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311760	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.027; 5.027; 16.778 90; 90; 120	367.19	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311757	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0224; 5.0224; 16.8222 90; 90; 120	367.48	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
1553649	CIF	C8 H8 F6 N4 Ni Si	P 4/m m m	7.00122; 7.00122; 7.49794 90; 90; 90	367.527	Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380
2311761	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0277; 5.0277; 16.7972 90; 90; 120	367.71	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
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
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
2311758	CIF	C6 Ba3 Mg3 O18	R -3 m :H	5.0228; 5.0228; 16.862 90; 90; 120	368.41	Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
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
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
4032789	CIF	C6 H9 N3 O2	C 1 m 1	7.693; 6.6662; 7.3655 90; 101.9; 90	369.608	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
2108209	CIF	C4 H4 O4	P b c a	4.7321; 6.9298; 11.2798 90; 90; 90	369.89	Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157
1553648	CIF	C8 H8 F6 N4 Ni Si Xe0.34	P 4/m m m	7.0187; 7.0187; 7.5098 90; 90; 90	369.95	Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380
7044014	CIF	Cu6.35 Na Sb3	P 63/m m c	4.2166; 4.2166; 24.0406 90; 90; 120	370.17	Owens-Baird, Bryan; Lee, Shannon; Kovnir, Kirill Two-Dimensional Metal NaCu6.3Sb3 and Solid-State Transformations of Sodium Copper Antimonides Dalton Trans., 2017
7044783	CIF	Sc Te2 Tl0.96	R -3 m :H	4.2133; 4.2133; 24.088 90; 90; 120	370.32	Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te Dalton Transactions, 2017
1548052	CIF	C7 H4 Cl2 O2	P -1	6.6783; 7.8355; 8.1648 65.48; 86.218; 72.786	370.51	Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J. Pd-Catalyzed Ortho C-H Hydroxylation of Benzaldehydes Using a Transient Directing Group. Organic letters, 2017, 19, 6280-6283
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
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
7044782	CIF	Sc Te2 Tl0.975	R -3 m :H	4.2173; 4.2173; 24.112 90; 90; 120	371.39	Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te Dalton Transactions, 2017
1560625	CIF	Mn O3 Y	P 63 c m	6.14624; 6.14624; 11.38463 90; 90; 120	372.451	Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41
7044306	CIF	C3 H5 N5 O6	P -1	6.736; 8.1254; 8.4748 62.402; 83.171; 65.905	373.84	Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities Dalton Trans., 2017
1545787	CIF	C7 H4 Br Cl O2	P -1	3.8949; 8.2939; 11.8408 89.014; 89.991; 78.651	374.97	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
1560626	CIF	Mn O3 Y	P 63 c m	6.18081; 6.18081; 11.37786 90; 90; 120	376.428	Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41
4032147	CIF	H8 N2 O8 S2	P 1 21/n 1	6.1336; 7.936; 7.765 90; 94.959; 90	376.56	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
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
1560352	CIF	H Mn O9 Sr2 V2	P 1 21 1	7.6316; 6.1204; 8.6893 90; 111.394; 90	377.9	Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W. Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH) Journal of Solid State Chemistry, 2017, 255, 225-233
7055885	CIF	C14 H10 N4 O6 Zn	P -1	5.019; 6.4793; 12.6014 91.545; 99.276; 110.23	377.97	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
2108208	CIF	C4 H4 O4	P b c a	4.7757; 6.993; 11.3384 90; 90; 90	378.66	Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157
1545789	CIF	C7 H4 Br Cl O2	P -1	3.9007; 8.307; 11.9258 88.909; 89.987; 78.731	378.91	Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017
7227767	CIF	Dy2 O10 S	C 1 2/m 1	16.58166; 3.682131; 6.21443 90; 90.0337; 90	379.427	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
1560644	CIF	Ga O6 Sn0.5 Zn3.5	R -3 m :H	3.2387; 3.2387; 41.779 90; 90; 120	379.52	Eichhorn, Simon; Schmid, Herbert; Assenmacher, Wilfried; Mader, Werner Homologous compounds of type ARO3(ZnO) in the system Ga-Sn-Zn-O Journal of Solid State Chemistry, 2017, 246, 214-220
1560627	CIF	Mn O3 Y	P 63 c m	6.21121; 6.21121; 11.37066 90; 90; 120	379.9	Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41
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
2242077	CIF HKL Paper	C18 H10 Cl2 N2 O2	P -1	3.871; 6.553; 15.292 92.773; 94.656; 99.627	380.42	Ivashevskaya, Svetlana N. Crystal structure of Pigment Red 254 from X-ray powder diffraction data Acta Crystallographica Section E, 2017, 73, 507-510
1560628	CIF	Mn O3 Y	P 63 c m	6.222219; 6.222219; 11.36779 90; 90; 120	381.151	Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41
9017710	CIF	Ca2.01 Ce0.03 Dy0.08 Er0.05 F2.88 Fe0.07 Gd0.08 La0.01 Lu0.01 Mn0.31 Na2.83 Nb0.23 Nd0.03 O15.12 Si4 Sm0.02 Ta0.01 Ti0.76 Y1.21 Yb0.04 Zr0.11	P -1	9.575; 5.685; 7.279 89.985; 100.933; 101.3	381.211	Camara, F.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.; Charrier, T.; Dorcet, V.; Carpentier, J. F. Fogoite-(Y), Na3Ca2Y2Ti(Si2O7)2OF3, a group I TS-block mineral from the Lagoa do Fogo, the Fogo volcano, Sao Miguel Island, the Azores: Description and crystal structure Mineralogical Magazine, 2017, 81, 369-381
7120415	CIF	F2 N2 O7 Pb2	A m m 2	5.1684; 15.051; 4.9061 90; 90; 90	381.64	Peng, Guang; Yang, Yi; Tang, Yu-Huan; Luo, Min; Yan, Tao; Zhou, Yuqiao; Lin, Chensheng; Lin, Zheshuai; Ye, Ning Collaborative Enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 Generates the Largest Second Harmonic Generation Effect Among Nitrates Chem. Commun., 2017
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
7041751	CIF	F7 N3 Si	P 4/m b m	8.07501; 8.07501; 5.86133 90; 90; 90	382.193	Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N. Sequence of phase transitions in (NH4)3SiF7. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2609-2617
7227769	CIF	O10 S Tb2	C 1 2/m 1	16.59872; 3.70483; 6.23157 90; 90.0909; 90	383.21	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
1560629	CIF	Mn O3 Y	P 63 c m	6.24323; 6.24323; 11.36346 90; 90; 120	383.583	Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41
4126465	CIF	C7 H14 N2 O	P -1	5.4402; 7.1156; 10.9891 98.224; 101.633; 108.971	383.9	Liniger, Marc; Liu, Yiyang; Stoltz, Brian M. Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids. Journal of the American Chemical Society, 2017
7042686	CIF	La O Se2 V	C 1 2/m 1	11.7119; 3.8857; 8.4363 90; 90.1917; 90	383.92	Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides Dalton Trans., 2017
1560484	CIF	H O5 Te V	P c a 21	11.0445; 7.008; 4.9633 90; 90; 90	384.16	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
1546366	CIF	Ca0.8 Cu3 Fe4 O12 Sr0.2	P n -3	7.2763; 7.2763; 7.2763 90; 90; 90	385.24	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
1560630	CIF	Mn O3 Y	P 63 c m	6.26324; 6.26324; 11.35052 90; 90; 120	385.607	Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41
4345369	CIF	Mo O2	P n m a	9.6921; 8.4322; 4.7188 90; 90; 90	385.65	Lüdtke, Tobias; Wiedemann, Dennis; Efthimiopoulos, Ilias; Becker, Nils; Seidel, Stefan; Janka, Oliver; Pöttgen, Rainer; Dronskowski, Richard; Koch-Müller, Monika; Lerch, Martin HP-MoO2: A High-Pressure Polymorph of Molybdenum Dioxide. Inorganic chemistry, 2017, 56, 2321-2327
1546180	CIF	C18 H14 F4 N2 O2	P -1	6.1939; 7.4692; 9.0672 86.863; 75.722; 71.755	385.97	Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee Hydrogen bonding vs. halogen bonding: the solvent decides Chem. Sci., 2017
7119534	CIF	O9 P2 Ti2	P -1	5.08431; 8.6121; 9.6766 74.5011; 76.1455; 74.488	386.933	García-Glez, Jorge; Amghouz, Zakariae; da Silva, Iván; Ania, Conchi O.; Parra, José B; Trobajo, Camino; García-Granda, Santiago The ability of a fibrous titanium oxophosphate for nitrogen-adsorption above room temperature. Chemical communications (Cambridge, England), 2017, 53, 2249-2251
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
7227950	CIF	C2 H6 N8 O4	C 1 2/m 1	7.752; 6.391; 8.702 90; 116.05; 90	387.3	Yu, Yuehai; Chen, Shusen; Li, Xin; Jin, Shaohua; Li, Lijie; Zhang, Guangyuan; Ma, Xiao; Shu, Qinghai The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies RSC Adv., 2017, 7, 18523
1546368	CIF	Ca0.6 Cu3 Fe4 O12 Sr0.4	I m -3	7.2942; 7.2942; 7.2942 90; 90; 90	388.09	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
7227768	CIF	Gd2 O10 S	C 1 2/m 1	16.63622; 3.73123; 6.25297 90; 90.0636; 90	388.14	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
1546365	CIF	Ca0.8 Cu3 Fe4 O12 Sr0.2	I m -3	7.30355; 7.30355; 7.30355 90; 90; 90	389.585	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
7229417	CIF	Ca2.92 H0.8 Na2 O18 Si6 Tb1.08	P -1	7.056; 7.075; 8.029 102.381; 95.387; 90.552	389.6	Bao, Xinjian; Liu, Xiaoyang; Liu, Xi High-pressure synthesis, crystal structure and photoluminescence properties of a new terbium silicate: Na2Tb1.08Ca2.92Si6O18H0.8 RSC Adv., 2017, 7, 50195
1553651	CIF	C8 H8 F6 Fe N4 O Si	P 4/m m m	7.1831; 7.1831; 7.5839 90; 90; 90	391.31	Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380
7227766	CIF	Eu2 O10 S	C 1 2/m 1	16.64411; 3.752217; 6.27044 90; 90.1141; 90	391.603	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
1546367	CIF	Ca0.6 Cu3 Fe4 O12 Sr0.4	I m -3	7.31708; 7.31708; 7.31708 90; 90; 90	391.754	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
8000386	CIF	C14 H18 Co N2 O5	P 1	5.571; 6.8976; 10.411 87.263; 100.31; 94.672	392.1	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7236867	CIF	C3 Ca2 Na2 O9	A m m 2	4.972; 11.068; 7.1271 90; 90; 90	392.2	Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system Journal of Materials Chemistry C, 2017, 5, 8758
7236873	CIF	C3 H3.5 N0.5 S1.5	P -1	4.3845; 7.1311; 12.7965 90.248; 97.646; 98.184	392.39	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
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
1546369	CIF	Ca0.4 Cu3 Fe4 O12 Sr0.6	I m -3	7.33013; 7.33013; 7.33013 90; 90; 90	393.854	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
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
1546370	CIF	Ca0.4 Cu3 Fe4 O12 Sr0.6	I m -3	7.3364; 7.3364; 7.3364 90; 90; 90	394.865	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
2108207	CIF	C4 H4 O4	P b c a	4.8571; 7.1033; 11.4462 90; 90; 90	394.91	Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157
4131686	CIF	C20 H16 N2 O2	P -1	4.8473; 5.199; 15.806 92.536; 92.576; 95.768	395.43	Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes. Journal of the American Chemical Society, 2017, 139, 15878-15890
2242302	CIF HKL Paper	C2 H6 O S	P 1 21/c 1	5.2243; 6.7414; 11.2772 90; 94.82; 90	395.77	Reuter, Hans Structural parameters of dimethyl sulfoxide, DMSO, at 100K, based on a redetermination by use of high-quality single-crystal X-ray data Acta Crystallographica Section E, 2017, 73, 1405-1408
1560656	CIF	C9.52 H19.2 Cr0.46 N1.54 Ni1.54 O12	P 63 2 2	8.1266; 8.1266; 6.9236 90; 90; 120	395.99	Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations Journal of Solid State Chemistry, 2017, 245, 23-29
4345897	CIF	C4 Ag Au N4	P 1 2/n 1	6.325; 4.939; 12.944 90; 101.616; 90	396.1	Ovens, Jeffrey S.; Leznoff, Daniel B. Thermal Expansion Behavior of M(I)[AuX2(CN)2]-Based Coordination Polymers (M = Ag, Cu; X = CN, Cl, Br). Inorganic chemistry, 2017, 56, 7332-7343
7227765	CIF	O10 S Sm2	C 1 2/m 1	16.66839; 3.77859; 6.289797 90; 90.2084; 90	396.148	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
1546371	CIF	Ca0.2 Cu3 Fe4 O12 Sr0.8	I m -3	7.34542; 7.34542; 7.34542 90; 90; 90	396.324	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
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
1546372	CIF	Ca0.2 Cu3 Fe4 O12 Sr0.8	I m -3	7.35387; 7.35387; 7.35387 90; 90; 90	397.693	Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T. Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12 Journal of Asian Ceramic Societies, 2017, 175, 5-169
8000385	CIF	C14 H18 Co N2 O5	P 1	5.6089; 6.9221; 10.434 87.77; 99.6; 94.788	397.91	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7043960	CIF	F2 Ge H2 Na2 O8 P2	C 1 2/m 1	10.372; 8.562; 4.483 90; 90.939; 90	398.1	Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs) Dalton Trans., 2017
4349600	CIF	Cs2 Hg Se2	P b a m	8.1849; 10.3302; 4.7112 90; 90; 90	398.34	Donsbach, C.; Dehnen, S. Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments Inorganic Chemistry Frontiers, 2017, 4, 336
7228220	CIF	C18 H20 N2 Ni O4	P -1	6.468; 7.7544; 8.6026 97.267; 109.253; 96.531	398.46	Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L. Difference Hirshfeld fingerprint plots: a tool for studying polymorphs CrystEngComm, 2017, 19, 2207
4514126	CIF	C4 H9 Na O7	P -1	5.939; 6.2687; 11.247 103.95; 91.49; 99.82	399.43	Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations Crystal Growth & Design, 2017, 17, 3812
7120830	CIF	C8 H7 Cu O2 S	P 1 n 1	3.9655; 19.103; 5.2888 90; 93.343; 90	399.96	Veselska, Oleksandra; Podbevsek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude Intrinsic Triple-Emitting 2D Copper Thiolate Coordination Polymer as a Ratiometric Thermometer Working over 400 K Range Chem. Commun., 2017
1560657	CIF	C9.76 H19.52 Fe0.5 N1.5 Ni1.5 O12	P 63 2 2	8.1246; 8.1246; 7.0011 90; 90; 120	400.22	Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations Journal of Solid State Chemistry, 2017, 245, 23-29
7056615	CIF	C12 H10.4 Fe N8 O1.2 Pt	P 1 2/m 1	7.2727; 7.4681; 7.4416 90; 95.939; 90	402.008	Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework New J. Chem., 2017
4131509	CIF	C7 H16 I3 N2 Rb	P 4 3 2	7.3827; 7.3827; 7.3827 90; 90; 90	402.39	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
7056616	CIF	C12 H10.4 Fe N8 O1.2 Pd	P 1 2/m 1	7.28; 7.47; 7.4387 90; 95.88; 90	402.4	Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework New J. Chem., 2017
4345367	CIF	Cu7 H6 O20 S2 Te2	P -1	7.3742; 7.6229; 7.6438 75.154; 75.92; 84.21	402.52	Guo, Wen-Bin; Tang, Ying-Ying; Wang, Junfeng; He, Zhangzhen Layered Cu7(TeO3)2(SO4)2(OH)6 with Diluted Kagomé Net Containing Frustrated Corner-Sharing Triangles. Inorganic chemistry, 2017, 56, 1830-1834
7227840	CIF	C6 H8 N2 O4	P 1 21/n 1	5.4312; 6.1004; 12.3902 90; 101.006; 90	402.97	Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V. π–hole interactions at work: crystal engineering with nitro-derivatives CrystEngComm, 2017, 19, 1933
8000384	CIF	C14 H18 Co N2 O5	P 1	5.639; 6.945; 10.465 88.69; 98.8; 94.7	403.6	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7119496	CIF	C8 H10 N4	P 1 21/c 1	5.57982; 4.79015; 15.1644 90; 94.0417; 90	404.309	Ahmed, Basil M.; Mezei, Gellert Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together. Chemical communications (Cambridge, England), 2017, 53, 1029-1032
4032475	CIF	C6 N6 S3	P m n 21	14.218; 3.651; 7.7954 90; 90; 90	404.66	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
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
4125775	CIF	C14 H26 Fe O6	P -1	5.2765; 8.7572; 9.3297 75.803; 82.097; 76.752	405.3	Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S. Fe-Catalyzed C-C Bond Construction from Olefins via Radicals. Journal of the American Chemical Society, 2017, 139, 2484-2503
1548377	CIF	C2 H8 N10 O4	P 1 21/c 1	5.4904; 11.4912; 6.4556 90; 95.571; 90	405.368	Tidey, Jeremiah P.; Zhurov, Vladimir V.; Gianopoulos, Christopher G.; Zhurova, Elizabeth A.; Pinkerton, A. Alan Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50. The journal of physical chemistry. A, 2017, 121, 8962-8972
7228221	CIF	C18 H20 Cu N2 O4	P -1	6.2433; 8.0884; 8.6219 71.541; 79.573; 85.986	406.13	Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L. Difference Hirshfeld fingerprint plots: a tool for studying polymorphs CrystEngComm, 2017, 19, 2207
7227772	CIF	Nd2 O10 S	C 1 2/m 1	16.74223; 3.83065; 6.33686 90; 90.2964; 90	406.4	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
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
2108206	CIF	C4 H4 O4	P b c a	4.9209; 7.1818; 11.5243 90; 90; 90	407.28	Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157
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
8000383	CIF	C14 H18 Co N2 O5	P 1	5.6799; 6.9641; 10.479 88.725; 98.587; 94.902	408.34	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7227899	CIF	C6 H4 Cl2 Cu N2	P -1	13.83118; 7.93848; 3.79073 96.1714; 94.9144; 96.8254	408.824	Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U. 4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction CrystEngComm, 2017, 19, 2216
7228223	CIF	C18 H20 Cu N2 O4	P -1	6.2388; 8.1434; 8.6344 71.421; 79.6; 85.781	408.92	Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L. Difference Hirshfeld fingerprint plots: a tool for studying polymorphs CrystEngComm, 2017, 19, 2207
7228403	CIF	C8 H18 N2 Ni2 O13	P 63 2 2	8.0241; 8.0241; 7.3421 90; 90; 120	409.4	Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties Phys. Chem. Chem. Phys., 2017
1560638	CIF	Li O6 Si2 V	P 1 21/c 1	9.2814; 8.5893; 5.2747 90; 103.099; 90	409.561	Ishii, Yuto; Matsushita, Yoshitaka; Oda, Migaku; Yoshida, Hiroyuki Structural study of quasi-one-dimensional vanadium pyroxene LiVSi2O6 single crystals Journal of Solid State Chemistry, 2017, 246, 125-129
1551582	CIF	C12 H25 N O13	P 1	6.914; 7.7202; 8.7383 79.467; 73.033; 67.106	409.71	FUJIMOTO, Takashi; NISHIO, Toshiyuku; HOSAKA, Hiroki; MIZOGUCHI, Saori; TASHIRO, Mitsuru Crystal Structure of β-D-Fructofuranosyl-[2↔1]-6-amido-6-deoxy-α-D-glucopyranoside X-ray Structure Analysis Online, 2017, 33, 63
7702152	CIF	C3 H10 Co N O8 P	P 1 21 1	5.4372; 9.9568; 7.6434 90; 98.03; 90	409.73	Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties. Dalton transactions (Cambridge, England : 2003), 2017, 46, 16570-16579
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
7227771	CIF	O10 Pr2 S	C 1 2/m 1	16.7586; 3.85723; 6.35696 90; 90.3911; 90	410.92	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
2242193	CIF HKL Paper	C4 H6 N10 O2	P 1 21 1	6.364; 9.627; 6.8627 90; 101.805; 90	411.6	Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E. Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate Acta Crystallographica Section E, 2017, 73, 1056-1061
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
1560637	CIF	Li O6 Si2 V	C 1 2/c 1	9.6299; 8.585; 5.3077 90; 109.716; 90	413.08	Ishii, Yuto; Matsushita, Yoshitaka; Oda, Migaku; Yoshida, Hiroyuki Structural study of quasi-one-dimensional vanadium pyroxene LiVSi2O6 single crystals Journal of Solid State Chemistry, 2017, 246, 125-129
4350819	CIF	Li2 P2 S6	C 1 2/m 1	11.1156; 7.007; 6.5251 90; 125.572; 90	413.38	Dietrich, Christian; Weber, Dominik A.; Culver, Sean; Senyshyn, Anatoliy; Sedlmaier, Stefan J.; Indris, Sylvio; Janek, Jürgen; Zeier, Wolfgang G. Synthesis, Structural Characterization, and Lithium Ion Conductivity of the Lithium Thiophosphate Li2P2S6 Inorganic Chemistry, 2017, 56, 6681-6687
8000382	CIF	C14 H18 Co N2 O5	P 1	5.7216; 6.9763; 10.501 89.95; 97.84; 94.966	413.7	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
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
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
8000381	CIF	C14 H18 Co N2 O5	P 1	5.73; 6.986; 10.533 89.56; 97.77; 95.04	416.1	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
1548551	CIF	Mg O3 Si	P 1 21/c 1	9.61327; 8.82246; 5.17455 90; 108.331; 90	416.597	Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364
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
1545676	CIF	Fe Li O6 Si2	C 1 2/c 1	9.66794; 8.67141; 5.29192 90; 110.094; 90	416.641	Ishida, N.; Sakatsume, K.; Kitamura, N.; Idemoto, Y. Improvement of electrochemical property of pyroxene-type LiFeSi2O6 and crystal-structure analysis Journal of the Ceramic Society of Japan, 2017, 125, 281-286
8000388	CIF	C14 H16 Co N2 O5	P 1	5.744; 6.981; 10.557 90.04; 97.92; 94.77	417.8	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7227770	CIF	Ce2 O10 S	C 1 2/m 1	16.8; 3.89198; 6.39427 90; 90.4448; 90	418.08	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
8000380	CIF	C14 H18 Co N2 O5	P 1	5.7562; 6.9942; 10.529 90.32; 97.38; 95.055	418.69	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
2311087	CIF	C3 H7 N O2	P 21 21 21	5.928; 12.26; 5.794 90; 90; 90	421.092	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
4002739	CIF	C20 H20 S2	P -1	4.6827; 7.453; 12.48 76.954; 85.196; 84.362	421.4	Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials, 2017, 29, 1245
4345717	CIF	Dy Mn3 O6	P m m n	7.2479; 7.4525; 7.8022 90; 90; 90	421.44	Zhang, Lei; Matsushita, Yoshitaka; Yamaura, Kazunari; Belik, Alexei A. Five-Fold Ordering in High-Pressure Perovskites RMn3O6 (R = Gd‒Tm and Y) Inorganic Chemistry, 2017
1547759	CIF	Cu0.25 Te0.1667	P m -3 n	7.51; 7.51; 7.51 90; 90; 90	423.565	Tom Willhammar; Kadir Sentosun; Stefanos Mourdikoudis; Bart Goris; Mert Kurttepeli; Marnik Bercx; Dirk Lamoen; Bart Partoens; Isabel Pastoriza-Santos; Jorge Perez-Juste; Luis M. Liz-Marzan; Sara Bals; Gustaaf Van Tendeloo Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared Nature Communications, 2017, 8, 14925
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
8000379	CIF	C14 H18 Co N2 O5	P 1	5.8059; 7.0187; 10.556 90.42; 96.96; 95.048	425.26	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7229205	CIF	C2 H7 N O3	P 1 21/c 1	7.3033; 8.6135; 6.8992 90; 99.565; 90	427.97	Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 2017
7227773	CIF	La2 O10 S	C 1 2/m 1	16.8847; 3.94202; 6.43589 90; 90.4539; 90	428.36	Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors RSC Adv., 2017, 7, 13331
7043959	CIF	F2 Ge H10 N2 O8 P2	P 1 21/c 1	7.353; 7.058; 8.804 90; 110.104; 90	429.1	Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs) Dalton Trans., 2017
1548549	CIF	Mg O3 Si	P b c n	9.25655; 8.73919; 5.31939 90; 90; 90	430.311	Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364
1548550	CIF	Mg O3 Si	P b c n	9.2732; 8.7266; 5.3217 90; 90; 90	430.651	Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K) Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364
8000378	CIF	C14 H18 Co N2 O5	P 1	5.8426; 7.0452; 10.585 90.43; 96.62; 94.933	431.13	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7227893	CIF	C6 H4 Br2 N2 Ni	P 1 1 2/m	9.48269; 12.34678; 3.68977 90; 90; 90.4227	431.989	Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U. 4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction CrystEngComm, 2017, 19, 2216
1544510	CIF	C16 H20 Cl2 Ir N2 O2	P -1	7.8768; 8.0811; 8.6738 68.1; 66.086; 61.433	432.1	Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652
2020906	CIF HKL Paper	C3 H11 Cu N5 O4	P -1	7.2183; 7.4079; 9.887 72.45; 68.82; 62.74	432.3	Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid Acta Crystallographica Section C, 2017, 73, 1010-1016
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
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
7043826	CIF	C14 H10 Cd N6 S2	P -1	5.8851; 8.215; 10.0094 69.796; 73.995; 79.063	434.13	Halder, Shibashis; Dey, Arka; Bhattacharjee, Aradhita; Ortega-Castro, Joaquin; Frontera, Antonio; Ray, Partha Pratim; Roy, Partha Cd(II)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies Dalton Trans., 2017
7042435	CIF	C12 H32 Cl2 Mg N4	P -1	6.7256; 7.9186; 8.2724 84.028; 84.044; 84.459	434.17	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
7041994	CIF	C4 H4 N2 O2	P 1 21/c 1	6.1105; 10.2259; 6.9669 90; 93.973; 90	434.28	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
7041928	CIF	C22 H18 N4 O2	P -1	3.8257; 9.9197; 11.9058 77.653; 89.013; 80.097	434.71	Tatikonda, Rajendhraprasad; Bertula, Kia; Nonappa, ?; Hietala, Sami; Rissanen, Kari; Haukka, Matti Bipyridine based metallogels: an unprecedented difference in photochemical and chemical reduction in the in situ nanoparticle formation. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2793-2802
8000377	CIF	C14 H18 Co N2 O5	P 1	5.8752; 7.0561; 10.609 90.36; 96.55; 94.743	435.38	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
4345435	CIF	Lu Na P2 S6	P -1	6.8185; 7.0241; 9.137 87.232; 87.633; 88.287	436.55	Schoop, Leslie M.; Eger, Roland; Kremer, Reinhard K.; Kuhn, Alexander; Nuss, Jürgen; Lotsch, Bettina V. Structural Stability Diagram of ALnP2S6 Compounds (A = Na, K, Rb, Cs; Ln = Lanthanide). Inorganic chemistry, 2017, 56, 1121-1131
7155484	CIF	C20 H14 N4 O4	P -1	4.673; 7.018; 13.709 77.037; 86.712; 86.883	437	Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring. Organic & biomolecular chemistry, 2017, 15, 1965-1969
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
7155828	CIF	C9 H9 N3 O2	P 1 n 1	3.8441; 14.0818; 8.2393 90; 101.091; 90	437.68	Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone Org. Biomol. 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
2311407	CIF Paper	C5 H7 Cl2 Mn N O2	P -1	6.897; 7.05; 9.853 101.042; 109.559; 94.196	438.2	Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1434-1438
8000376	CIF	C14 H18 Co N2 O5	P 1	5.9012; 7.0666; 10.625 90.369; 96.279; 94.712	438.88	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
1544648	CIF	C18 H24 Sb2	P -1	5.174; 7.9835; 11.2694 88.921; 79.679; 73.714	439.35	Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080
7227233	CIF	C6 H6 N6 O4	P 1 21/c 1	3.68405; 13.8967; 8.7734 90; 101.475; 90	440.19	Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910
1545491	CIF HKL Paper	C6 H8 Cl2 N2 Pd	P 1 2/c 1	7.0734; 10.4076; 6.7019 90; 116.683; 90	440.83	Konno, Yosuke; Matsushita, Nobuyuki Dichlorido(<i>o</i>-phenylenediamine)palladium(II) IUCrData, 2017, 2, x170144
2108205	CIF	C4 H4 O4	P b c a	5.1174; 7.3666; 11.7174 90; 90; 90	441.72	Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157
8000374	CIF	C14 H18 Co N2 O5	P 1	5.9454; 7.058; 10.616 90.27; 95.74; 94.245	442	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
2311390	CIF Paper	C6 H8 Cl2 N2 Pt	P 1 2/c 1	7.087; 10.446; 6.692 90; 116.61; 90	442.9	Konno, Yosuke; Matsushita, Nobuyuki Crystal structure of di-chlorido-(1,2-phenyl-enedi-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')platinum(II). Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1009-1012
1548781	CIF	F2 N Na0.985 O3 Pb1.015	C m c m	5.57374; 14.11358; 5.63458 90; 90; 90	443.247	Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures Solid State Sciences, 2017, 71, 111-116
7044137	CIF	C6 H4 Li2 N6 O4	P 1 21/c 1	3.4091; 9.2113; 14.3342 90; 99.88; 90	443.45	Bunzen, Hana; Lamp, Anton; Grzywa, Maciej; Barkschat, Christa; Volkmer, Dirk Bistriazole-p-benzoquinone and its alkali salts: electrochemical behaviour in aqueous alkaline solutions Dalton Trans., 2017
7042964	CIF	C8 H16 N20 O2	P -1	5.755; 8.863; 9.154 77.761; 80.303; 78.757	443.6	Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation Dalton Trans., 2017
4087187	CIF	C7 H8 Au Br N2	P -1	7.505; 8.0571; 9.044 101.39; 102.75; 117.48	444	Johnson, Alice; Gimeno, M. Concepción Synthesis of Propargyl-Functionalized NHC Gold Complexes Organometallics, 2017, 36, 1278
4002721	CIF	C8 H20 Mn2 N4 O12	P 1	8.198; 8.2; 8.933 63.28; 63.31; 60.06	444.8	Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials, 2017, 29, 2264
8000373	CIF	C14 H18 Co N2 O5	P 1	5.9847; 7.0514; 10.628 90.03; 95.46; 93.21	445.8	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7229207	CIF	C4 H11 N O2	P 32	6.9335; 6.9335; 10.7367 90; 90; 120	447	Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 2017
8000375	CIF	C14 H18 Co N2 O5	P 1	5.958; 7.069; 10.669 90; 95.21; 92.76	447	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7042615	CIF	C2 H6 Eu Na O10 S	P -1	6.2787; 8.4948; 9.4543 89.165; 72.524; 69.15	447.07	Behera, Jogendra Nath; Tiwari, Ranjay K. Organic‒inorganic hybrid Three-Dimensional Metal Sulfite- Oxalate with honeycomb-like structures Dalton Trans., 2017
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
8000368	CIF	C14 H18 Co N2 O5	P 1	5.9793; 7.0877; 10.6426 88.93; 96.108; 93.52	447.59	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7229416	CIF	Ca2 Fe2 O5	P n m a	5.42489; 14.78357; 5.59289 90; 90; 90	448.546	Kagomiya, Isao; Hirota, Yuki; Kakimoto, Ken-ichi; Fujii, Kotaro; Shiraiwa, Masahiro; Yashima, Masatomo; Fuwa, Akio; Nakamura, Shin Weak ferromagnetic ordering in brownmillerite Ca2Fe2O5 and its effect on electric field gradients Phys. Chem. Chem. Phys., 2017
8000367	CIF	C14 H18 Co N2 O5	P 1	5.9924; 7.0915; 10.6453 88.987; 96.008; 93.603	448.97	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
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
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
8000372	CIF	C14 H18 Co N2 O5	P 1	6.006; 7.0672; 10.657 89.92; 95.2; 92.71	450	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
8000366	CIF	C14 H18 Co N2 O5	P 1	6.0076; 7.0951; 10.6488 89.126; 95.853; 93.642	450.6	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
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
7229208	CIF	C7 H17 N O3	P 1 21 1	7.7116; 7.1277; 8.4076 90; 102.612; 90	450.98	Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 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
1546555	CIF HKL Paper	C6 H10 O3 S2	P -1	7.4093; 7.9779; 8.625 67.3; 85.9; 74.068	451.93	Eyer, Lukas N.; McAdam, C. John; Simpson, Jim 2-(Ethoxycarbonothioylthio)propanoic acid IUCrData, 2017, 2, x171035
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
8000365	CIF	C14 H18 Co N2 O5	P 1	6.0307; 7.097; 10.6526 89.391; 95.588; 93.571	452.88	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
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
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
8000364	CIF	C14 H18 Co N2 O5	P 1	6.0405; 7.0949; 10.6576 89.484; 95.509; 93.428	453.82	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
8000363	CIF	C14 H18 Co N2 O5	P 1	6.047; 7.0945; 10.6587 89.505; 95.443; 93.326	454.43	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
8000371	CIF	C14 H16 Co N2 O5	P 1 m 1	6.0509; 7.0817; 10.657 90; 95.19; 90	454.8	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
8000362	CIF	C14 H18 Co N2 O5	P 1	6.0538; 7.0936; 10.6609 89.535; 95.383; 93.181	455.09	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
1546668	CIF HKL Paper	C9 H12 Cl N	P -1	6.9617; 7.5941; 9.464 86.06; 82.118; 67.102	456.5	Bentivoglio, Gino; Laus, Gerhard; Kahlenberg, Volker; Röder, Thomas; Schottenberger, Herwig 1-Allyl-2-methylpyridinium chloride IUCrData, 2017, 2, x170598
8000361	CIF	C14 H18 Co N2 O5	P 1	6.0709; 7.0907; 10.6664 89.559; 95.237; 92.593	456.77	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7227792	CIF	C8 H6 Br N S2	P -1	6.9208; 7.5423; 8.8756 85.0711; 82.0272; 89.0243	457.11	Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901
8000370	CIF	C14 H18 Co N2 O5	P 1 m 1	6.0655; 7.074; 10.725 90; 95.28; 90	458.2	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7044499	CIF	C5 H6 Cu N8	P -1	5.196; 9.092; 10.1992 104.243; 91.165; 100.198	458.61	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
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
1553781	CIF	C2 H4 N4 O	P n m a	5.0951; 6.0539; 14.8931 90; 90; 90	459.38	Wan, Huabin; Li, Hongmin; Xu, Jian; Wu, Zhuang; Liu, Qifan; Chu, Xianxu; Abe, Manabu; Bégué, Didier; Zeng, Xiaoqing N-Methylcarbamoyl azide: spectroscopy, X-ray structure and decomposition via methylcarbamoyl nitrene Organic Chemistry Frontiers, 2017, 4, 1839
8000359	CIF	C14 H18 Co N2 O5	P 1 m 1	6.0947; 7.0901; 10.6768 90; 95.09; 90	459.55	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
8000369	CIF	C14 H17 Co N2 O5	P 1 m 1	6.0764; 7.0959; 10.704 90; 95.196; 90	459.63	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
8000357	CIF	C14 H18 Co N2 O5	P 1 m 1	6.1054; 7.0878; 10.6638 90; 95.094; 90	459.64	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
2108120	CIF HKL Paper	C4 H14 N2 O3 S2	P -1	6.0538; 8.5273; 9.3869 73.623; 82.681; 84.207	460.05	Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B, 2017, 73, 507-518
8000360	CIF	C14 H18 Co N2 O5	P 1 m 1	6.0947; 7.0944; 10.6845 90; 95.116; 90	460.139	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
8000358	CIF	C14 H18 Co N2 O5	P 1 m 1	6.1006; 7.0942; 10.6767 90; 95.052; 90	460.28	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
7042805	CIF	C18 H28 Fe P2	P -1	5.961; 8.9856; 9.7083 65.07; 80.485; 78.753	460.48	Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines Dalton Trans., 2017
8000356	CIF	C14 H18 Co N2 O5	P 1 m 1	6.1071; 7.0985; 10.6748 90; 95.017; 90	460.99	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
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
8000387	CIF	C14 H18 Co N2 O5	P 1 m 1	6.115; 7.1238; 10.661 90; 94.83; 90	462.8	Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284
4032665	CIF	C11 H12 O3	P 1 21 1	6.9303; 7.7696; 8.6272 90; 92.403; 90	464.13	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
7120440	CIF	C20 H16 N4 Se2	P -1	5.3962; 7.7356; 11.7477 99.421; 94.558; 104.661	464.25	Huynh, Huu-Tri; Jeannin, Olivier; Fourmigué, Marc Organic selenocyanates as strong and directional chalcogen bond donors for crystal engineering Chem. Commun., 2017
7155929	CIF	C8 H8 Br2 F2	P 1 21/n 1	6.2656; 6.3728; 11.8196 90; 100.172; 90	464.53	Sedenkova, Kseniya N.; Averina, Elena B.; Grishin, Y K.; Kolodjashnaja, Julia V.; Rybakov, Victor B.; Kuznetsova, Tamara S.; Hughes, Audrey; Gomes, Gabriel dos Passos; Alabugin, Igor; Zefirov, Nikolay S. Substituent effects on stereoselectivity of dihalocarbene reactions with cyclohexadiene and on the reactivity of bis-dihalocyclopropanes in electrophilic nitrations on route to pyrimidine N-oxides Org. Biomol. Chem., 2017
7056585	CIF	C22 H14 N4 O4	P -1	4.4715; 6.6057; 16.7243 101.339; 91.268; 105.658	464.89	Farfán, Norberto; Santillan, Rosa; Garcia Ortega, Héctor; Guerrero, Tomas; Morales-Saavedra, O. G.; Lacroix, Pascal Georges Bis(4-nitroanilines) in interaction through a π-conjugated bridge: conformational effects and potential molecular switches New J. Chem., 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
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
1546921	CIF HKL Paper	C18 H21 Cl2 N O6	P -1	4.7434; 6.8568; 15.0374 100.88; 92.184; 103.053	466.21	Smith, Graham Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate] IUCrData, 2017, 2, x171223
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
1549552	CIF	C2 H12 Cu1.5 O10 P	P -1	6.082; 8.001; 10.836 94.98; 105.71; 109.84	468.08	Köferstein, Roberto; Arnold, Michael; Robl, Christian Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates Zeitschrift für anorganische und allgemeine Chemie, 2017, 643, 276
7043961	CIF	Cs2 F2 Ge H2 O8 P2	P 4/m b m	8.567; 8.567; 6.389 90; 90; 90	468.9	Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs) Dalton Trans., 2017
4002735	CIF	C22 H24 S2	P -1	4.6426; 7.6517; 13.444 86.187; 82.177; 84.247	470.08	Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials, 2017, 29, 1245
7227236	CIF	C6 H4 N6 Na O4	P 1 2/n 1	9.6805; 3.52584; 14.4065 90; 106.805; 90	470.722	Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910
2020801	CIF HKL Paper	C8 H20 Mn O18 U	P -1	6.997; 7.185; 11.043 106.356; 93.891; 115.13	470.9	Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L. Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020802	CIF	C8 H20 Co O18 U	P -1	6.997; 7.185; 11.043 106.356; 93.891; 115.13	470.9	Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L. Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands Acta Crystallographica Section C Structural Chemistry, 2017, 73
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
7043155	CIF	C8 H5 Br N4 O2	P -1	5.182; 8.556; 11.285 77.698; 81.398; 75.758	471.3	Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley; Jones, Richard A. Synthesis and Electronic Investigation of Mono- and Di-substituted 4-Nitro- and 4-Amino-bis(pyrazol-1-yl)pyridine-type Ligands and Luminescent Eu(III) Derivatives Dalton Trans., 2017
2242235	CIF HKL Paper	C18 H10 Ca2 Cu O14	P -1	6.664; 8.754; 8.925 103.065; 110.14; 92.776	471.6	Zhang, Feng; Zhang, Bing-Guang Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] Acta Crystallographica Section E, 2017, 73, 835-837
1560472	CIF	Pd0.5 S7 Si Y3	P 63	9.7891; 9.7891; 5.684 90; 90; 120	471.7	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
4514132	CIF	C9 H10 N2 O4	P 1 21 1	7.8515; 5.5447; 10.921 90; 96.39; 90	472.48	Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations Crystal Growth & Design, 2017, 17, 3812
7041651	CIF	C8 H10 B Cl2 N	P -1	6.838; 8.394; 8.943 85.04; 80.45; 69.04	472.5	Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T. Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2263-2269
4032663	CIF	C11 H12 O3	P 1 21 1	8.4949; 5.9702; 9.384 90; 95.383; 90	473.82	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
7228841	CIF	C16 H10 Br2 F4 N6 O2	P -1	5.2164; 5.7379; 16.463 98.285; 90.049; 102.844	475.14	Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds CrystEngComm, 2017
7041346	CIF	C18 H22 Al2 O4	P -1	7.417; 8.6964; 9.1984 117.254; 109.439; 94.798	477.25	Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz Structure investigations of group 13 organometallic carboxylates. Dalton transactions (Cambridge, England : 2003), 2017, 46, 669-677
1546353	CIF	C18 H14 Mn2 N4 O6	P -1	7.2912; 8.1947; 9.5912 106.422; 100.106; 113.184	477.83	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
2311348	CIF Paper	C6 H6 O7 Rb2	P 1 21/m 1	5.97796; 15.096; 5.32067 90; 93.9341; 90	479.02	Rammohan, Alagappa; Kaduk, James A. Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 92-95
2311349	CIF	C6 H6 O7 Rb2	P 1 21/m 1	5.978; 15.0961; 5.3207 90; 93.9354; 90	479.032	Rammohan, Alagappa; Kaduk, James A. Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 92-95
7056279	CIF	C2 H8 Cd2 N2 O7 V2	P n n m	14.598; 5.208; 6.304 90; 90; 90	479.3	Li, Ning; Zhao, Jian-Guo; Xu, Li; Zhang, Zhong; Huang, Liping; Liu, Yiwei; Lu, Ying; Liu, Shuxia A 3D cadmium−vanadium bimetallic framework with luminescence properties New J. Chem., 2017
4002828	CIF	Cu3 K Se2	C 1 2/m 1	15.417; 4.0742; 8.319 90; 112.94; 90	481.2	Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.; Botana, Antia S.; Chung, Duck Young; Kanatzidis, Mercouri G. Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu3‒xSe2 Chemistry of Materials, 2017
2020690	CIF HKL	C12 H18 Cu2 N8 O6 S2	P -1	7.235; 7.548; 10.297 105.42; 98.15; 112.43	482	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
7228079	CIF	C12 H10 N2	P 1 c 1	7.3773; 5.741; 12.67 90; 115.92; 90	482.6	Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies CrystEngComm, 2017
7042508	CIF	C2 Ag2 N12 O4	P 1 2/c 1	6.752; 5.0649; 14.1529 90; 92.18; 90	483.65	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
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
7229653	CIF	C18 H25 N O6 S	P 1	5.6325; 7.9186; 10.9501 88.389; 83.823; 87.401	484.92	Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach RSC Advances, 2017, 7, 55026
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
7227720	CIF	C3 H3 Cl Li N3 O3	R 3 m :H	7.7079; 7.7079; 9.4483 90; 90; 120	486.135	Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl CrystEngComm, 2017, 19, 1366
4514248	CIF	C11 H11 N O2	P 1 21/m 1	6.417; 7.0536; 10.791 90; 93.618; 90	487.46	Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols ACS Catalysis, 2017, 7, 7830
7228602	CIF	C2 F4 S2	P b c a	7.814; 5.7599; 10.8324 90; 90; 90	487.54	nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe Fluorination promotes chalcogen/tetrel bonding in crystalline solids CrystEngComm, 2017
7120602	CIF	C11 H12 N2 O	P -1	6.2899; 7.1826; 11.4722 85.248; 82.608; 72.427	489.46	Jiang, Huanfeng; Ouyang, Lu; Huang, Jiuzhong; Li, Jianxiao; Qi, Chaorong; Wu, Wanqing Palladium-Catalyzed Oxidative Amination of Homoallylic Alcohols: Sequential Installing Carbonyl and Amino Groups along an Alkyl Chain Chem. Commun., 2017
4131688	CIF	C24 H24 N2 O2	P -1	4.7918; 5.431; 19.0454 88.299; 89.48; 81.756	490.3	Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes. Journal of the American Chemical Society, 2017, 139, 15878-15890
7229361	CIF	C12 H8 N2 O3	P -1	7.2887; 7.9722; 9.8335 95.529; 103.372; 115.216	490.45	Green, Michael T.; Peczkowski, Gary R.; Al-Ani, Aneesa J.; Benjamin, Sophie L.; Simpkins, Nigel S.; Jones, Alan M. Total synthesis and structural revision of a mangrove alkaloid RSC Adv., 2017, 7, 48754
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
7056248	CIF	C26 H16 N4 O4	P -1	5.588; 7.545; 11.984 77.113; 88.392; 87.412	491.9	Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing New J. Chem., 2017
1548782	CIF	F N O4 Pb2	A m a a	5.78377; 14.63528; 5.81352 90; 90; 90	492.098	Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures Solid State Sciences, 2017, 71, 111-116
7228455	CIF	C4 H4.359 F0.641 N3 O	P 1 21/n 1	4.00808; 9.43931; 13.0306 90; 91.179; 90	492.889	Braun, Doris Elfriede; Griesser, Ulrich J. Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine CrystEngComm, 2017
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
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
1560471	CIF	Ge Ni0.5 S7 Sm3	P 63	9.9642; 9.9642; 5.7436 90; 90; 120	493.86	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
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
7227243	CIF	C26 H10 F4 N4	P -1	6.7854; 8.2932; 9.432 97.567; 107.241; 97.513	494.35	Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds CrystEngComm, 2017, 19, 618
7235144	CIF	Li O4 P Rb2	C m c 21	5.624; 11.351; 7.744 90; 90; 90	494.4	Lin Li; Ying Wang; Bing-Hua Lei; Shujuan Han; Zhihua Yang; Hongyi Li; Shilie Pan LiRb2PO4: a new deep-ultraviolet nonlinear optical phosphate with a large SHG response Journal of Materials Chemistry C, 2017, 5, 269-274
1560466	CIF	Co0.5 Ge S7 Sm3	P 63	9.9742; 9.9742; 5.7393 90; 90; 120	494.48	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
7044392	CIF	Ga1.5 Ir Nb5	P 42/m n m	9.8366; 9.8366; 5.1124 90; 90; 90	494.67	Carnicom, Elizabeth M.; Xie, Weiwei; Klimczuk, Tomasz; Cava, Robert J. New σ-Phases in the Nb-X-Ga and Nb-X-Al Systems (X = Ru, Rh, Pd, Ir, Pt, and Au) Dalton Trans., 2017
7155913	CIF	C23 H22 O4 S	P 1	5.6715; 8.7531; 10.1807 84.071; 82.036; 83.693	495.5	Przydacz, Artur; Kowalczyk, Rafał; Albrecht, Lukasz Brønsted-base-catalyzed Remote Cascade Reactivity of 2,4-Dienones - Asymmetric Synthesis of Tetrahydrothiophenes Org. Biomol. Chem., 2017
1560449	CIF	C12 H10 Cu4 I4 N4 O0	P -1	4.1668; 11.069; 11.972 114.32; 98.43; 91.08	495.8	Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property Journal of Solid State Chemistry, 2017, 251, 176-185
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
4518392	CIF HKL	C12 H6 N4	P 1 21/c 1	3.8118; 10.0388; 12.9838 90; 91.328; 90	496.7	Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile Crystal Growth and Design, 2017, 17, 5242-5248
7044393	CIF	Ga1.25 Nb5 Ru1.25	P 42/m n m	9.8508; 9.8508; 5.1201 90; 90; 90	496.85	Carnicom, Elizabeth M.; Xie, Weiwei; Klimczuk, Tomasz; Cava, Robert J. New σ-Phases in the Nb-X-Ga and Nb-X-Al Systems (X = Ru, Rh, Pd, Ir, Pt, and Au) Dalton Trans., 2017
7236700	CIF	C26 H10 N4	P -1	3.7327; 11.2986; 12.356 75.176; 87.062; 81.316	497.94	Glöcklhofer, Florian; Petritz, Andreas; Karner, Esther; Bojdys, Michael J.; Stadlober, Barbara; Fröhlich, Johannes; Unterlass, Miriam M. Dicyano- and tetracyanopentacene: foundation of an intriguing new class of easy-to-synthesize organic semiconductors. Journal of materials chemistry. C, 2017, 5, 2603-2610
7228839	CIF	C16 H10 F4 I2 N6 O2	P -1	5.6157; 5.8013; 15.5403 85.616; 89.138; 80.7	498.16	Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds CrystEngComm, 2017
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
7120070	CIF	C12 H12 O2 S	P -1	6.2782; 7.1917; 12.492 86.275; 75.966; 66.086	499.86	Barrett, Matthew J.; Khan, Ghulam Fatima; Davies, Paul; Grainger, Richard S. Alkynyl sulfoxides as α-sulfinyl carbene equivalents: Gold-catalysed oxidative cyclopropanation Chem. Commun., 2017
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
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
7226907	CIF	C20 H22 N8	P -1	5.7849; 6.0656; 14.756 79.742; 88.831; 80.342	502.3	Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm, 2017, 19, 11
7228098	CIF	C5 H11 Cr0.5 K0.5 N O6	P -1	8.559; 8.602; 9.156 63.07; 63.19; 61.08	502.3	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
2020905	CIF HKL Paper	C6 H28 N12 Ni2 O8	P -1	7.1226; 9.0134; 9.1203 103.16; 107.48; 106.69	502.4	Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid Acta Crystallographica Section C, 2017, 73, 1010-1016
4349660	CIF	C6 H16 I N	P 1 21/m 1	8.2911; 8.3667; 8.3092 90; 118.95; 90	504.38	Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R. Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase Inorganic Chemistry Frontiers, 2017, 4, 553
2020691	CIF HKL	C12 H18 B2 Cu2 F8 N6 S2	P -1	7.754; 7.965; 10.372 67.57; 89.99; 61.07	504.6	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
7120813	CIF	C28 H26 N4	P -1	4.8312; 9.604; 11.229 82.626; 81.11; 80.418	504.7	Ono, Toshikazu; Koga, Daiki; Yoza, Kenji; Hisaeda, Yoshio First synthesis of meso-dicycloalkylporphycenes: ring strain effects on structural and optical properties of isomeric porphyrins Chem. Commun., 2017
7228386	CIF	C20 H18 B2 N2 O12	P -1	6.283; 9.068; 9.413 83.434; 71.683; 87.853	505.8	Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties CrystEngComm, 2017
7227396	CIF	C4 H4 Li2 O6	C 1 2 1	14.024; 4.789; 10.837 90; 135.927; 90	506.3	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
1560470	CIF	Ge Nd3 Ni0.5 S7	P 63	10.076; 10.076; 5.7605 90; 90; 120	506.49	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
7059116	CIF	C3 H8 N8 O7	P -1	7.588; 7.666; 10.104 105.941; 91.695; 114.65	506.6	Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan New Journal of Chemistry, 2017, 41, 7697
1560465	CIF	Co0.5 Ge Nd3 S7	P 63	10.0775; 10.0775; 5.7704 90; 90; 120	507.51	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
2108137	CIF HKL	C18 H12 N6 Ni S4	P -1	7.4307; 8.9072; 9.2445 115.167; 94.727; 108.525	507.94	Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642
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
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
2020809	CIF HKL Paper	C9 H7 F N2 O4 S	P -1	6.8304; 7.0075; 12.3042 93.348; 103.091; 115.566	509.22	Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D. Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid Acta Crystallographica Section C, 2017, 73, 481-485
1547708	CIF	C7 H14 I N O4	P m n 21	9.099; 6.059; 9.24 90; 90; 90	509.4	Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions Nature Communications, 2017, 8, 14934
7056613	CIF	C19 H23 F4 N O5	P 1	6.0766; 9.436; 9.7318 73.389; 72.298; 84.89	509.4	Bilska-Markowska, Monika; Siodła, Tomasz; Patyk, Ewa; Katrusiak, Andrzej; Koroniak, Henryk The conformations of new CF3 and CF3-CHF containing amides derived from carbohydrates: NMR, crystallographic and DFT study New J. Chem., 2017
7228661	CIF	C5 H8 Br I N2 O S	P -1	7.786; 8.719; 9.403 62.62; 89.52; 66.88	509.6	Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors CrystEngComm, 2017
1547602	CIF	C11 H9 F2 N O2	P -1	5.5743; 8.0878; 12.3099 107.2; 93.657; 103.638	509.85	Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect. Organic letters, 2017, 19, 5689-5692
2108133	CIF HKL Paper	C18 H12 N6 Ni S4	P -1	7.446; 8.8942; 9.2799 114.992; 94.904; 108.68	509.94	Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642
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
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
7042368	CIF	C18 H32 N2 Si2	P -1	7.1205; 8.6746; 9.1371 82.356; 76.703; 68.797	511.29	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
1545589	CIF	C26 H10 F2 N4 S2	P -1	7.1608; 7.9489; 9.1084 80.928; 89.567; 87.878	511.62	Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017
1545588	CIF	C26 H12 N4 S2	P -1	7.1933; 8.0044; 9.0183 81.181; 89.31; 87.721	512.7	Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017
2108186	CIF	D3 O4 P	P 21 21 21	4.5121; 8.2009; 13.8569 90; 90; 90	512.75	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
1560547	CIF	Ca3 Ga Na3 P4	P 63 m c	9.174; 9.174; 7.035 90; 90; 120	512.8	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
7227392	CIF	C4 H4 Li2 O6	C 1 2 1	14.095; 4.8107; 10.788 90; 135.458; 90	513.1	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7236656	CIF	C6 H14 Cu N2 O6	P 1 21 1	5.222; 8.635; 11.558 90; 100.115; 90	513.1	Ma, Ning; Lin, Cong; Wu, Nian; Liu, Qi; Ma, Jia-Le; Meng, Wei; Wang, Xiao-Shuang; Zhang, Lu; Xu, Xiaohui; Zhao, Yifang; Zhuang, Lin; Fan, Jun; Sun, Junliang; Zhuo, Ren-Xi; Zhang, Xian-Zheng Stomata-like metal peptide coordination polymer Journal of Materials Chemistry A, 2017, 5, 23440
7229439	CIF	C6 H14 Cl N O6	P -1	5.2863; 5.6138; 17.4559 82.962; 86.746; 88.924	513.26	Rademeyer, Melanie; van der Westhuizen, Belinda Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro CrystEngComm, 2017
1560469	CIF	Ge Ni0.5 Pr3 S7	P 63	10.1303; 10.1303; 5.7752 90; 90; 120	513.27	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
8106750	CIF	C12 H20 F12 N4 P2	P -1	7.388; 8.499; 9.347 90.198; 106.496; 113.042	513.5	Wan-Ming, Xiong; Jing, Chen; Da-Yong, Peng; Xu-Liang, Nie; Huang, Chang-gan Crystal structure of 1,1′-butanebis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C12H20F12N4P2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 1007-1008
1560464	CIF	Co0.5 Ge Pr3 S7	P 63	10.1306; 10.1306; 5.7785 90; 90; 120	513.59	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
1547576	CIF	C21 H19 Br N2 O6	P 1	7.04; 7.063; 10.762 83.24; 79.64; 79.5	515.6	Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions. Organic letters, 2017, 19, 4896-4899
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
7227399	CIF	C4 H4 Li2 O6	C 1 2 1	14.126; 4.8218; 10.753 90; 135.162; 90	516.4	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7228813	CIF	C28 H20 N2 O4	P -1	4.82; 9.353; 11.782 99.589; 99.411; 90.265	516.4	Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative CrystEngComm, 2017
7227416	CIF	C2 H3 K N2 O3	P 21 21 21	5.8792; 6.8542; 12.8207 90; 90; 90	516.64	Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott Lewis Acid stabilization and Activation of Primary N-Nitrosamides RSC Adv., 2017
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
2108185	CIF	D3 O4 P	P 21 21 21	4.5214; 8.2332; 13.9189 90; 90; 90	518.14	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
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
1546588	CIF HKL Paper	C12 H12 N2 O2	P -1	4.5801; 10.87; 10.971 101.043; 98.854; 99.868	518.21	Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData, 2017, 2, x171057
4345411	CIF	C8 H10 O6 U	P 1 21 1	5.2473; 12.9276; 7.6949 90; 96.105; 90	519.02	Thuéry, Pierre; Harrowfield, Jack Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality. Inorganic chemistry, 2017, 56, 1455-1469
4033140	CIF	C12 H16 O3	P -1	7.1832; 8.55; 9.308 104.927; 105.219; 98.265	519.1	Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E. Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride. The Journal of organic chemistry, 2017, 82, 12798-12805
7155411	CIF	C11 H8 Br2	P 1 21 1	4.3644; 15.4436; 7.821 90; 99.674; 90	519.66	Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters. Organic & biomolecular chemistry, 2017, 15, 605-609
2108135	CIF HKL	C18 H12 Cu N6 S4	P -1	7.5458; 9.0111; 9.2574 115.334; 95.223; 108.563	520.01	Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642
7227234	CIF	C18 H32 N8 O2	P -1	7.5718; 8.46267; 8.7904 102.057; 102.489; 101.212	520.6	Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910
7227391	CIF	C4 H4 Li2 O6	C 1 2 1	14.168; 4.8351; 10.715 90; 134.825; 90	520.6	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7236725	CIF	C12 H13 N3	P -1	6.9599; 7.5636; 10.3122 98.43; 92.196; 103.452	520.77	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
7228161	CIF	C4 H3 Cl N2 O	P 1 21/n 1	4.1254; 10.6052; 11.9696 90; 96.02; 90	520.79	Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines CrystEngComm, 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
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
1560463	CIF	Ce3 Co0.5 Ge S7	P 63	10.206; 10.206; 5.7906 90; 90; 120	522.4	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
1560468	CIF	Ce3 Ge Ni0.5 S7	P 63	10.2052; 10.2052; 5.7921 90; 90; 120	522.41	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
4002736	CIF	C24 H28 S2	P -1	4.7594; 8.6807; 13.1142 89.7304; 80.9378; 77.6887	522.511	Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials, 2017, 29, 1245
1545590	CIF	C26 H10 F2 N4 Se2	P -1	7.1911; 8.039; 9.156 80.96; 89.226; 88.727	522.6	Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017
7155909	CIF	C11 H13 N O S	P -1	7.004; 8.8258; 8.9668 100.469; 95.629; 104.054	522.84	Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones Org. Biomol. Chem., 2017
4125494	CIF	C9 H9 N2 O5 S	P -1	5.4297; 9.1562; 10.8346 93.508; 97.284; 100.633	523.15	Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862
1560694	CIF	C4 H3 N O2 S	P b c m	6.78; 12.082; 6.403 90; 90; 90	524.5	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
2108184	CIF	D3 O4 P	P 21 21 21	4.5338; 8.2726; 13.9867 90; 90; 90	524.59	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7228769	CIF	C12 H8 N4 O2	P 1 c 1	4.8736; 8.5549; 12.5992 90; 91.428; 90	525.14	A, Irudaya Jothi; Alexander, V. Organic NLO Material with H-Bonded 1D Helical Self-Assembly: Synthesis, X-Ray Crystal Structure, DFT Calculations, SHG Measurements and Thermal Studies of (5Z,6E)-1,10-Phenanthroline-5,6-dione Dioxime CrystEngComm, 2017
1547288	CIF	Fe7.2 K7.2 O16 Ti0.8	F d -3 m :2	8.0715; 8.0715; 8.0715 90; 90; 90	525.85	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
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
7119786	CIF	C5 H4 N4	P n a 21	15.534; 9.382; 3.6126 90; 90; 90	526.5	Ruggiero, Michael T.; Zeitler, J. Axel; Erba, Alessandro Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine. Chemical communications (Cambridge, England), 2017, 53, 3781-3784
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
7227398	CIF	C4 H4 Li2 O6	C 1 2 1	14.231; 4.856; 10.642 90; 134.235; 90	526.9	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
1546051	CIF	C9 H12 Br N O3	P 1 21 1	6.3036; 5.3042; 15.9161 90; 97.947; 90	527.05	Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss., 2017
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
7155389	CIF	C25 H20 Cl N O4	P 1	6.5505; 8.7111; 9.9103 82.5366; 73.6985; 76.9181	527.35	Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams. Organic & biomolecular chemistry, 2017, 15, 320-323
7120337	CIF	C13 H12 O2	P -1	7.8751; 8.232; 8.8523 73.986; 73.564; 83.983	528.84	Satpathi, Bishnupada; Wagulde , Siddhant V.; Ramasastry, S. S. V. Enantioselective organocatalytic intramolecular Morita-Baylis-Hillman (IMBH) reaction of dienones, and elaboration of the IMBH adducts to fluorenones Chem. Commun., 2017
1546398	CIF	C9 H3 B F2 K N3	P -1	7.2218; 7.3375; 11.5902 100.165; 95.64; 116.645	529.22	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
4032399	CIF	C12 H12 F2 O3	P -1	5.212; 7.438; 14.3549 80.834; 85.227; 74.865	529.83	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
7227922	CIF	C4 H6 O5	P 1	4.8168; 10.4707; 11.0951 107.086; 95.382; 93.503	530.21	Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike Non-equimolar discrete compounds in binary chiral systems of organic substances CrystEngComm, 2017, 19, 1851
4033242	CIF	C18 H23 Cl F N O7 Si	P 1	6.5977; 6.954; 13.0578 82.254; 84.013; 63.46	530.42	De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F. Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination. The Journal of organic chemistry, 2017, 82, 13171-13178
1547289	CIF	Fe7.2 K7.2 O16 Ti0.8	F d -3 m :2	8.0961; 8.0961; 8.0961 90; 90; 90	530.67	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
2108183	CIF	D3 O4 P	P 21 21 21	4.5456; 8.3104; 14.0631 90; 90; 90	531.24	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7236631	CIF	C2 H10 N12 O5	P -1	7.7628; 8.472; 8.6864 96.566; 99.093; 107.015	531.54	Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials J. Mater. Chem. A, 2017, 5, 20867
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
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
7120101	CIF	C11 H8 Au N S	P -1	5.751; 8.2449; 11.8285 103.379; 99.477; 95.776	532.54	Seki, Tomohiro; Kobayashi, Koh; Ito, Hajime Low-Temperature-Selective Luminescent Mechanochromism of a Thienyl Gold Isocyanide Complex Chem. Commun., 2017
1547290	CIF	Fe7.2 K7.2 O16 Ti0.8	F d -3 m :2	8.1062; 8.1062; 8.1062 90; 90; 90	532.66	Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128
1560327	CIF	Cd K2 O6 Se2	R -3 m :H	5.6975; 5.6975; 18.9486 90; 90; 120	532.692	Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4 Journal of Solid State Chemistry, 2017, 256, 213-218
8106683	CIF	C24 H16 Cu F6 O4	P -1	6.5651; 9.4145; 9.5014 68.668; 77.063; 86.847	532.91	Shao, HaiFeng; Hou, YanJun The crystal structure of bis(2-(2,2,2-trifluoroacetyl)-3,4-dihydronaphthalen-1-olato-κ2O,O′)copper(II), C24H16CuF6O4 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 801-802
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
1560467	CIF	Ge La3 Ni0.5 S7	P 63	10.2983; 10.2983; 5.8078 90; 90; 120	533.42	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
4032334	CIF	C23 H34 O4	P 1	6.2961; 8.1075; 10.7109 82.602; 83.304; 81.408	533.459	Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum. The Journal of organic chemistry, 2017, 82, 1632-1637
4349767	CIF	Ce2 Ge3.09 Pt0.91	C m c e	8.5157; 14.75; 4.2511 90; 90; 90	533.97	Sarkar, Sumanta; Roy, Soumyabrata; Kalsi, Deepti; Peter, Sebastian C. Ce2PtGe3: a new ordered orthorhombic superstructure in the AlB2family with spin glass behavior Inorganic Chemistry Frontiers, 2017, 4, 2097
7236399	CIF	C8 H6 N6 O5	P -1	7.141; 8.315; 10.267 84.165; 73.123; 66.337	534.25	Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K. Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies Journal of Materials Chemistry A, 2017, 5, 7366
7155846	CIF	C11 H14 O6	P -1	7.7439; 7.8264; 9.1707 76.972; 81.6747; 83.9592	534.27	Geibel, Irina; Schmidtmann, Marc; Christoffers, Jens Cerium-Catalyzed, Oxidative Synthesis of Annulated, Tetrasubstituted Dihydrofuran-Derivatives Org. Biomol. Chem., 2017
7043831	CIF	Cu5 P3 Th	P n m a	12.7255; 3.8766; 10.8422 90; 90; 90	534.86	JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues Dalton Trans., 2017
1545469	CIF	C9 H9 Au Cl N3	P -1	6.5022; 7.7532; 11.0346 77.138; 82.169; 83.193	535.03	Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes. Organic letters, 2017, 19, 822-825
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
2108182	CIF	D3 O4 P	P 21 21 21	4.5549; 8.3362; 14.1067 90; 90; 90	535.64	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
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
1560462	CIF	Co0.5 Ge La3 S7	P 63	10.3179; 10.3179; 5.8107 90; 90; 120	535.72	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7 Journal of Solid State Chemistry, 2017, 250, 14-23
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
4032921	CIF	C14 H7 Cl O S	P 1 21 1	11.504; 3.842; 13.114 90; 112.364; 90	536	Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings. The Journal of organic chemistry, 2017, 82, 10920-10927
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
7041530	CIF	C8 H7 Cu F2 N3 O3	P 1 21/m 1	7.7839; 6.5316; 10.911 90; 104.846; 90	536.21	Liu, Xiangyu; Li, Feifei; Ma, Xiaohui; Cen, Peipei; Luo, Shuchang; Shi, Quan; Ma, Shenru; Wu, Yuewei; Zhang, Chengcheng; Xu, Zhao; Song, Weiming; Xie, Gang; Chen, Sanping Coligand modifications fine-tuned the structure and magnetic properties of two triple-bridged azido-Cu(ii) chain compounds exhibiting ferromagnetic ordering and slow relaxation. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1207-1217
7228905	CIF	C6 H12 Er0.2 N O8 Yb0.8	P 1 21 1	6.61; 8.599; 9.656 90; 102.01; 90	536.8	Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation Phys. Chem. Chem. Phys., 2017
7227839	CIF	C8 H12 N2 O6	P 1 21/c 1	8.3219; 5.2142; 12.3799 90; 90.819; 90	537.13	Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V. π–hole interactions at work: crystal engineering with nitro-derivatives CrystEngComm, 2017, 19, 1933
1560299	CIF	F6 O6 Sb4 Zn3	I -4 3 m	8.1291; 8.1291; 8.1291 90; 90; 90	537.19	Sk Imran Alia; Weiguo Zhangb; P. Shiv Halasyamanib; Mats Johnsson Zn3Sb4O6F6: Hydrothermal synthesis, crystal structure and nonlinear optical properties Journal of Solid State Chemistry, 2017, 256, 158-161
1560561	CIF	C9 H10 Ag N2 O3 S	P -1	7.3778; 7.8542; 9.9136 110.026; 92.985; 92.487	537.846	Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines Journal of Solid State Chemistry, 2017, 249, 174-188
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
2108181	CIF	D3 O4 P	P 21 21 21	4.5599; 8.3496; 14.1332 90; 90; 90	538.1	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
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
7236728	CIF	C12 H13 N3	P -1	7.084; 7.646; 10.376 98.929; 91.731; 103.705	538.1	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
7227389	CIF	C4 H4 Li2 O6	C 1 2 1	14.342; 4.8946; 10.487 90; 133.01; 90	538.3	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7236553	CIF	C24 H22 N2 O4	P -1	7.4425; 7.545; 10.892 100.835; 96.718; 113.445	538.5	Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity Journal of Materials Chemistry A, 2017, 5, 7961
7041507	CIF	C7 H7 Fe N7 O2	P -1	6.4; 8.58; 10.802 106.749; 104.441; 96.194	539.6	Deng, Yi-Fei; Han, Tian; Xue, Wei; Hayashi, Naoaki; Kageyama, Hiroshi; Zheng, Yan-Zhen An Ising iron(ii) chain exhibits a large finite-size energy barrier and "hard" magnetic behaviour. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1449-1454
2108180	CIF	D3 O4 P	P 21 21 21	4.5639; 8.3606; 14.1535 90; 90; 90	540.05	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
8106584	CIF	C6 H18 Cl2 N2 O2	P -1	7.9597; 9.1223; 9.2893 118.575; 106.507; 97.12	540.21	Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A. Crystal structure of 4-(2-ammonioethyl)morpholin-4-ium dichloride monohydrate, C6H18Cl2N2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 501-502
7120837	CIF	C5 H6 Br3 N O Pb	P -1	4.3093; 10.586; 12.335 103.012; 97.348; 94.651	540.22	Liu, Guangfeng; Gu, Peiyang; NIE, Lina; zhang, qichun Simultaneous Crystallization of in situ Formed Conjugated Polymer and Inorganic Matrix for Structure Solving Chem. Commun., 2017
4032563	CIF	C12 H19 N O2	P -1	6.3659; 8.72; 10.5934 89.053; 73.759; 73.554	540.23	Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones. The Journal of organic chemistry, 2017, 82, 6489-6496
2242161	CIF HKL	C11 H14 N4 O	P -1	7.1732; 7.9945; 9.5912 83.91; 86.247; 81.528	540.25	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
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
1546516	CIF	C11 H12 F3 N O	P 1	5.0215; 8.6681; 12.6928 80.344; 83.072; 88.4	540.66	Noto, Naoki; Koike, Takashi; Akita, Munetaka Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis Chem. Sci., 2017
7043153	CIF	C11 H8 N6 O2	P -1	6.0442; 8.393; 11.447 72.362; 89.297; 78.103	540.7	Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley; Jones, Richard A. Synthesis and Electronic Investigation of Mono- and Di-substituted 4-Nitro- and 4-Amino-bis(pyrazol-1-yl)pyridine-type Ligands and Luminescent Eu(III) Derivatives Dalton Trans., 2017
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
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
1560548	CIF	Ca3 In Na3 P4	P 63 m c	9.358; 9.358; 7.1477 90; 90; 120	542.08	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
1546567	CIF	C12 H11 N5	P -1	5.493; 10.339; 10.611 112.83; 99.24; 94.16	542.1	Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss., 2017
2242099	CIF HKL Paper	C7 H14 N4 O6	P -1	6.9695; 8.096; 10.5316 76.468; 73.251; 75.39	542.23	Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T. Hydrazinium 2-amino-4-nitrobenzoate dihydrate: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E, 2017, 73, 579-585
2108179	CIF	D3 O4 P	P 21 21 21	4.5689; 8.3733; 14.1755 90; 90; 90	542.31	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7236650	CIF	C2 H6 I3 N Pb	P 63/m m c	8.749; 8.749; 8.2061 90; 90; 120	543.98	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
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
4032378	CIF	C14 H10 F N O2	P 1 21 1	4.2186; 9.333; 13.852 90; 93.134; 90	544.6	Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation. The Journal of organic chemistry, 2017, 82, 3589-3596
7042367	CIF	C18 H32 P2 Si2	P -1	7.1303; 8.7216; 9.2829 82.676; 83.138; 72.688	544.6	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
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
2311945	CIF Paper	C4 H4 N2 O S	P 1 21/c 1	4.1043; 11.0458; 12.0465 90; 93.74; 90	544.97	Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Sanković, Krešimir Structural and computational analysis of intermolecular interactions in a new 2-thiouracil polymorph. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 1078-1086
4032996	CIF	C9 H4 Cl3 N3 O	P -1	7.4103; 8.3251; 9.0266 86.17; 83.778; 80.605	545.47	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
4032288	CIF	C9 H11 I N2 S	P -1	6.6795; 9.4844; 9.9184 67.948; 88.957; 70.779	545.91	Hasty, Scott J.; Bandara, Mithila D.; Rath, Nigam P.; Demchenko, Alexei V. S-Benzimidazolyl (SBiz) Imidates as a Platform for Oligosaccharide Synthesis via Active-Latent, Armed-Disarmed, Selective, and Orthogonal Activations. The Journal of organic chemistry, 2017, 82, 1904-1911
7228904	CIF	C6 H12 Er0.02 N O8 Y0.91 Yb0.07	P 1 21 1	6.657; 8.652; 9.708 90; 102.42; 90	546.1	Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation Phys. Chem. Chem. Phys., 2017
2108178	CIF	D3 O4 P	P 21 21 21	4.5791; 8.4031; 14.2214 90; 90; 90	547.22	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
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
7227395	CIF	C4 H4 Li2 O6	C 1 2 1	14.477; 4.9154; 10.425 90; 132.46; 90	547.3	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7228906	CIF	C6 H12 Eu0.08 N O8 Y0.92	P 1 21 1	6.663; 8.658; 9.716 90; 102.45; 90	547.3	Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation Phys. Chem. Chem. Phys., 2017
8106646	CIF	C9 H13 F O5 S	P -1	5.939; 8.1581; 11.3823 89.498; 85.314; 84.916	547.48	Govender, Kimberleigh B.; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia Crystal structure of methyl 1-(2-(fluorosulfonyl)ethyl)-2-oxocyclopentanecarboxylate, C9H13FO5S Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 697-698
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
7229158	CIF	C9 H12 N6 O2	P -1	7.3027; 7.7089; 10.368 93.184; 98.654; 107.39	547.52	Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A. Thymine cocrystals based on DNA-inspired binding motifs CrystEngComm, 2017
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
7228451	CIF	C14 H10 N4	P 1 21/n 1	3.8706; 7.4727; 18.936 90; 90.335; 90	547.69	Aksenov, Alexander V.; Ovcharov, Dmitrii S.; Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Nadein, Oleg N.; Rubin, Michael Dual role of polyphosphoric acid-activated nitroalkanes in oxidative peri-annulations: efficient synthesis of 1,3,6,8-tetraazapyrenes RSC Adv., 2017, 7, 29927
4131481	CIF	C17 H9 N	P -1	6.8696; 8.582; 9.9548 105.668; 98.054; 98.994	547.78	Cueny, Eric S.; Johnson, Heather C.; Anding, Bernie J.; Landis, Clark R. Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods. Journal of the American Chemical Society, 2017, 139, 11903-11912
7236652	CIF	C2 H6 I3 N Pb	P 63/m m c	8.778; 8.778; 8.212 90; 90; 120	548	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
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
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
2108177	CIF	D3 O4 P	P 21 21 21	4.5831; 8.411; 14.2424 90; 90; 90	549.02	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7056162	CIF	C12 H22 Cl8 Mo2 N2	P -1	6.6315; 7.648; 11.839 106.915; 96.903; 102.798	549.1	Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano Unusual activation pathways of amines in the reactions with molybdenum pentachloride New J. Chem., 2017
1545724	CIF	C14 H8 S Te	P 1 21 1	9.6238; 4.2326; 13.66 90; 98.795; 90	549.88	Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds Chem. Sci., 2017
4345216	CIF	Ge2 O S6 Sr2 Zn	P -4 21 m	9.4311; 9.4311; 6.1845 90; 90; 90	550.084	Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution. Inorganic chemistry, 2017, 56, 2459-2466
7155325	CIF	C12 H18 O3	P -1	7.3024; 8.6519; 8.9513 77.266; 86.338; 88.215	550.42	Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes. Organic & biomolecular chemistry, 2017, 15, 584-588
2242025	CIF HKL Paper	H6 N2 O2 Rb2	P n m a	7.3957; 4.0932; 18.1873 90; 90; 90	550.57	Grassl, Tobias; Korber, Nikolaus Crystal structure of rubidium peroxide ammonia disolvate Acta Crystallographica Section E, 2017, 73, 200-202
7236709	CIF	C12 H6 N2 O2 S2	P 1 21/n 1	8.23564; 4.76654; 14.1245 90; 96.7481; 90	550.623	Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors Journal of Materials Chemistry C, 2017, 5, 2509
8106610	CIF	C9 H8 Br F2 N O2 S	P -1	7.5277; 8.373; 9.8785 92.637; 111.201; 105.856	551.08	Liu, Li; Wu, Ming-Yuan; Huang, Chao; Teng, Ming-Gang; Cao, Jian-Xin The crystal structure of 4-bromo-N-cyclopropyl-2,5-difluorobenzenesulfonamide, C9H8BrF2NO2S Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 585-586
7120102	CIF	C11 H8 Au N S	P -1	5.85; 8.472; 11.703 102.488; 99.645; 96.731	551.1	Seki, Tomohiro; Kobayashi, Koh; Ito, Hajime Low-Temperature-Selective Luminescent Mechanochromism of a Thienyl Gold Isocyanide Complex Chem. Commun., 2017
2108176	CIF	D3 O4 P	P 21 21 21	4.5868; 8.4232; 14.2653 90; 90; 90	551.15	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
4032214	CIF	C20 H21 N5 O8 S	P 1	6.0519; 7.661; 11.9361 88.489; 87.47; 86.454	551.65	Ručil, Tomáš; Trávníček, Zdeněk; Cankař, Petr Ring-Opening Reactions of the N-4-Nosyl Hough-Richardson Aziridine with Nitrogen Nucleophiles. The Journal of organic chemistry, 2017, 82, 723-730
4086849	CIF	C9 H7 Cl3 Ga N	P -1	6.9531; 9.447; 9.6421 71.449; 73.839; 69.285	551.72	Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D. Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs Organometallics, 2017, 36, 474
7120712	CIF	C15 H10 N2	P 1 21 1	8.291; 6.1867; 11.241 90; 106.88; 90	551.8	Joost, Maximilian; Nava, Matthew Jordan; Transue, Wesley J.; Cummins, Christopher An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen, and a carbon atom Chem. Commun., 2017
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
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
7155496	CIF	C14 H9 Cl N2	P 1 21 1	9.5475; 4.7592; 12.4973 90; 103.477; 90	552.22	Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines. Organic & biomolecular chemistry, 2017, 15, 2259-2268
2311409	CIF	C12 H22 Cl4 Mn2 N2 O6	P -1	7.902; 8.026; 9.893 98.033; 99.272; 113.634	552.6	Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1434-1438
4514128	CIF	C4 H3 K O4	P b c m	4.5071; 7.7017; 15.921 90; 90; 90	552.66	Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations Crystal Growth & Design, 2017, 17, 3812
2108175	CIF	D3 O4 P	P 21 21 21	4.5932; 8.4323; 14.2795 90; 90; 90	553.06	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
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
2022632	CIF HKL Paper	C13 H13 N O3	P 1 21 1	5.9638; 8.4266; 11.0246 90; 92.779; 90	553.38	Zukerman-Schpector, Julio; Moro, Angélica V.; dos Santos, Marcelo R.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T. 3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis Acta Crystallographica, Section E: Crystallographic Communications, 2017, 73, 746-751
2242261	CIF HKL Paper	C4 H8 N2 O2	P 1 21 1	7.5941; 10.0703; 7.8286 90; 112.402; 90	553.51	Frampton, Christopher S.; Murray, James I.; Spivey, Alan C. Crystal structure of 1-methylimidazole 3-oxide monohydrate Acta Crystallographica Section E, 2017, 73, 372-374
7228388	CIF	C20 H22 B2 N2 O14	P -1	3.6556; 10.2996; 15.328 103.389; 92.245; 98.573	553.53	Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties CrystEngComm, 2017
8106436	CIF	C14 H24 F12 N4 P2	P -1	8.8173; 8.8845; 9.1494 62.206; 64.298; 89.661	553.72	Xu-Liang, Nie; Juan-Hua, Kong; Jing, Chen; Jin-Zhu, Chen; Wan-Ming, Xiong Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 73-74
2242289	CIF HKL Paper	C8 H12 O8 S	P 1 21 1	5.4258; 8.9491; 11.4365 90; 94.092; 90	553.9	Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A. Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from <i>Hibiscus sabdariffa</i> (Malvaceae) Acta Crystallographica Section E, 2017, 73, 1368-1371
4349696	CIF	C9 H14 Cl N W	P 1 21/m 1	6.3636; 7.2907; 11.9698 90; 93.495; 90	554.31	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
7042788	CIF	C7 H14 N2 O7 P2	P -1	7.947; 7.954; 9.044 104.08; 90.23; 91.08	554.4	Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa Two isomorphous Co(II) coordination polymers based on new α,α-disubstituted derivatives of zoledronic acid: synthesis, structures and properties Dalton Trans., 2017
1545714	CIF	C12 H12 N2 O S	P 1 21 1	5.2322; 10.0668; 10.7671 90; 102.13; 90	554.46	Tan, Wei; Wei, Jianpeng; Jiang, Xuefeng Thiocarbonyl Surrogate via Combination of Sulfur and Chloroform for Thiocarbamide and Oxazolidinethione Construction. Organic letters, 2017, 19, 2166-2169
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
2108174	CIF	D3 O4 P	P 21 21 21	4.598; 8.4429; 14.3036 90; 90; 90	555.27	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7044705	CIF	Ge3 Li3 Se6	P -1	6.7728; 8.6804; 10.63 74.519; 76.334; 69.185	555.98	Li, Guangmao; Zhen, Ni; Chu, Yu; Zhou, Zhongxiang Li3Ge3Se6: The First Ternary Lithium Germanium Selenide with Interesting ∞[Ge6Se12]n Chains Constructed by Ethane-like [Ge2Se6]6- Clusters Dalton Transactions, 2017
7043560	CIF	C6 H14 N8 Ni O2	P 1 21/c 1	5.4378; 6.6766; 15.437 90; 96.885; 90	556.41	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
7041574	CIF	C24 H16 Cu N6 O10	P -1	7.3858; 7.9511; 9.9894 75.7; 78.644; 84.546	556.66	Raj, Pushap; Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder Syntheses, crystal structures and photophysical properties of Cu(ii) complexes: fine tuning of a coordination sphere for selective binding of azamethiphos. Dalton transactions (Cambridge, England : 2003), 2017, 46, 985-994
1547293	CIF	C32 H14 F4 N2	P -1	7.0204; 7.3076; 11.485 102.679; 92.77; 103.071	556.96	Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262
7227393	CIF	C4 H4 Li2 O6	C 1 2 1	14.639; 4.9393; 10.379 90; 132.027; 90	557.5	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
2108173	CIF	D3 O4 P	P 21 21 21	4.6022; 8.4597; 14.3291 90; 90; 90	557.88	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
1547712	CIF	C11 H18 O4	P -1	7.0078; 7.1563; 11.9748 106.043; 97.618; 99.673	558.69	Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung Stereoselective one-pot synthesis of polypropionates Nature Cummunications, 2017, 8, 679
7227397	CIF	C4 H4 Li2 O6	C 1 2 1	14.67; 4.946; 10.365 90; 131.97; 90	559.2	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7043587	CIF	C9 H11 N5 O2 S	P -1	5.5656; 8.5877; 12.2172 95.751; 98.795; 101.942	559.3	Yang, Jing; Dong, Chao; Kirk, Martin L. Xanthine oxidase‒product complexes probe the importance of substrate/product orientation along the reaction coordinate Dalton Trans., 2017
7056204	CIF	C4 H5 N7 O10	P 1 21 1	7.1401; 7.804; 10.6428 90; 109.113; 90	560.34	Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei An interesting ring cleavage of 1,2,4-oxadiazole ring New J. Chem., 2017
7226906	CIF	C20 H20 I2 N8	P -1	5.7837; 6.113; 16.4016 98.086; 92.18; 101.892	560.46	Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm, 2017, 19, 11
1560508	CIF	H O6 Sr Te V	P 1 21/c 1	6.9891; 6.8356; 11.9257 90; 100.351; 90	560.47	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
4349587	CIF	C20 H28 Ni S6	P -1	5.6359; 8.354; 12.3983 97.787; 97.987; 100.485	560.62	Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms Inorganic Chemistry Frontiers, 2017, 4, 270
7229218	CIF	C6 H13 Br Ca0.5 N3 O4	P -1	4.8911; 10.0848; 11.8785 95.772; 96.25; 103.656	561.11	Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario Ionic co-crystals of enantiopure and racemic histidine with calcium halides CrystEngComm, 2017
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
1548405	CIF	C14 H9 Br O S	P 1 21 1	5.9996; 4.9812; 18.7925 90; 91.68; 90	561.38	Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter Regioselective synthesis of C3 alkylated and arylated benzothiophenes Nature Communications, 2017, 8, 14801
1546731	CIF HKL Paper	C16 H32 Ag2 Cl2 S4	P -1	6.1921; 9.9443; 10.3761 114.71; 102.121; 92.239	561.66	Liebing, Phil Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)] IUCrData, 2017, 2, x170921
4345215	CIF	Ge2 Mn O S6 Sr2	P -4 21 m	9.5206; 9.5206; 6.2002 90; 90; 90	561.997	Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution. Inorganic chemistry, 2017, 56, 2459-2466
1547701	CIF	C21 H28 Br N O7	P 1	5.8465; 9.7587; 9.8846 89.343; 87.738; 86.3034	562.324	Horwitz, Matthew A.; Fulton, Jennifer L.; Johnson, Jeffrey S. Enantio- and Diastereoselective Organocatalytic Conjugate Additions of Nitroalkanes to Enone Diesters. Organic letters, 2017, 19, 5783-5785
2108159	CIF	H3 O4 P	P 21 21 21	4.619; 8.479; 14.38 90; 90; 90	563.2	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
1560328	CIF	Cd O6 Rb2 Se2	R -3 m :H	5.7503; 5.7503; 19.6685 90; 90; 120	563.23	Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4 Journal of Solid State Chemistry, 2017, 256, 213-218
2108172	CIF	D3 O4 P	P 21 21 21	4.6206; 8.481; 14.388 90; 90; 90	563.83	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
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
2020808	CIF HKL Paper	C9 H6 Br F N2 O4 S	P -1	6.8884; 9.5036; 9.618 73.608; 87.634; 69.969	566.43	Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D. Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid Acta Crystallographica Section C, 2017, 73, 481-485
2108050	CIF HKL	C2 Ca K0.36 Na1.64 O6	C m c m	5.062; 8.79; 12.744 90; 90; 90	567.04	Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D. Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~ Acta Crystallographica Section B, 2017, 73, 276-284
7120419	CIF	C18 H25 N11 O6	P 1	7.8397; 8.9624; 9.2212 116.269; 98.816; 93.667	567.74	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
2020737	CIF HKL Paper	C30 H18 N4 S	P 1	8.3617; 8.7261; 8.859 104.451; 94.187; 112.344	568.69	Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R. Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure Acta Crystallographica Section C, 2017, 73, 319-324
7056072	CIF	Mg5 Na7 O28 P8	P -1	6.3932; 9.4219; 10.9116 64.711; 80.374; 73.543	569.13	Ma, Ruru; Yang, Yun; Pan, Shilie; Sun, Yanzhou; Yang, Zhihua Structure comparison and optical properties of Na7Mg4.5(P2O7)4: a sodium magnesium phosphate with isolated P2O7 units New J. Chem., 2017, 41, 3399
4349586	CIF	C20 H28 Au S6	P -1	5.7474; 8.2872; 12.3617 97.587; 98.039; 98.681	569.22	Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms Inorganic Chemistry Frontiers, 2017, 4, 270
7059101	CIF	C5 H14 Cl2 N2 O2 Pt S	P -1	7.795; 8.6094; 9.4837 99.166; 91.628; 114.355	569.27	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
4349692	CIF	C9 H12 Cl F2 N W	P -1	7.3092; 7.5096; 11.8873 90.124; 95.77; 118.542	569.34	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
2108171	CIF	D3 O4 P	P 21 21 21	4.6332; 8.5169; 14.4323 90; 90; 90	569.51	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
1545652	CIF HKL Paper	C8 H8 N Na O7 S	P -1	7.4526; 7.9888; 10.692 85.916; 80.181; 65.237	569.6	Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium] IUCrData, 2017, 2, x170440
1545705	CIF	C9 H8 B F3 N2 O Te	P -1	6.7368; 8.2186; 11.478 109.16; 92.23; 106.25	570.3	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
4032601	CIF	C13 H5 F5 N2 O	P -1	7.369; 7.894; 10.285 80.949; 79.134; 78.079	570.5	Savva, Anastasia C.; Mirallai, Styliana I.; Zissimou, Georgia A.; Berezin, Andrey A.; Demetriades, Marina; Kourtellaris, Andreas; Constantinides, Christos P.; Nicolaides, Constantinos; Trypiniotis, Theodossis; Koutentis, Panayiotis A. Preparation of Blatter Radicals via Aza-Wittig Chemistry: The Reaction of N Aryliminophosphoranes with 1-(Het)aroyl-2-aryldiazenes. The Journal of organic chemistry, 2017
7229106	CIF	C9 H20 N2 O4	P 1 21 1	9.915; 4.8296; 11.944 90; 92.907; 90	571.2	Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M. Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline CrystEngComm, 2017
1546792	CIF	C13 H13 N3 O	P -1	6.0966; 8.7275; 11.867 98.93; 102.72; 107.148	571.9	Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal N-Methylamino Pyrimidyl Amides (MAPA): Highly Reactive, Electronically-Activated Amides in Catalytic N-C(O) Cleavage. Organic letters, 2017, 19, 4656-4659
7227390	CIF	C4 H2 Li2 O6	C 1 2 1	14.84; 4.98; 10.36 90; 131.64; 90	572	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7155499	CIF	C14 H9 N3 O2	P -1	3.9286; 11.3555; 13.3245 78.536; 83.012; 81.083	572.98	Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines. Organic & biomolecular chemistry, 2017, 15, 2259-2268
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
1560550	CIF	Eu2.6 In Na3.4 P4	P 63 m c	9.4959; 9.4959; 7.3505 90; 90; 120	574.01	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
4032662	CIF	C13 H16 O3	P 1 21 1	7.2003; 8.4682; 9.4258 90; 91.1279; 90	574.61	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
8000253	CIF	C24 H22 Cl2 N2 O6	P -1	7.1913; 7.3327; 11.7139 87.608; 85.333; 68.993	574.67	Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism. The journal of physical chemistry letters, 2017, 8, 5450-5455
1547514	CIF	C13 H15 N O2	P -1	7.3581; 9.0853; 9.4911 108.041; 101.319; 98.946	575.42	Shemet, Andrej; Carreira, Erick M. Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution. Organic letters, 2017, 19, 5529-5532
1544005	CIF	C2.545 H1.636 N0.364 O0.182	P -1	6.5174; 9.8469; 10.3476 113.309; 95.997; 104.217	575.83	Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission. Chemical science, 2017, 8, 577-582
2108170	CIF	D3 O4 P	P 21 21 21	4.6494; 8.558; 14.5078 90; 90; 90	577.26	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7236537	CIF	C4 H8 Co F6 O8	P -1	8.136; 9.0331; 9.2695 75.139; 64.574; 71.426	577.48	Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V. Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties Journal of Materials Chemistry A, 2017, 5, 7383
7227514	CIF	C12 H11 N3 O3	P -1	6.9822; 7.1747; 12.7208 76.298; 83.08; 69.036	577.68	Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N. Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation CrystEngComm, 2017, 19, 1123
1553763	CIF	C14 H12 N2 O3	P -1	7.1026; 7.8866; 11.4159 92.777; 92.263; 114.968	577.75	Hong, Longcheng; Ahles, Sebastian; Strauss, Marcel A.; Logemann, Christian; Wegner, Hermann A. Synthesis of 2,3-diaza-anthraquinones via the bidentate Lewis acid catalysed inverse electron-demand Diels‒Alder (IEDDA) reaction Organic Chemistry Frontiers, 2017, 4, 871
7227820	CIF	C8 H6 Cl2 Li N2 O5	P -1	7.8772; 7.9735; 10.4011 94.304; 106.276; 109.851	579.26	Molčanov, Krešimir; Kojić-Prodić, Biserka Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ) CrystEngComm, 2017, 19, 1801
4345205	CIF	O7 S Te Th	P 1 21/c 1	7.0324; 9.6314; 8.8053 90; 103.724; 90	579.37	Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V. Thorium Chemistry in Oxo-Tellurium System under Extreme Conditions. Inorganic chemistry, 2017, 56, 2926-2935
7228919	CIF	C13 H11 N3 O3	P -1	7.4377; 7.7862; 11.4106 75.345; 77.944; 65.998	579.81	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
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
4126739	CIF	C15 H13 N O2	P 1 21 1	7.1098; 11.329; 7.2326 90; 95.131; 90	580.23	Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones. Journal of the American Chemical Society, 2017
7043429	CIF	C4 H10 Cl3 Nb S3	P 1 21 1	7.201; 11.3494; 7.8693 90; 115.502; 90	580.47	Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films Dalton Trans., 2017
7055913	CIF	C6 H10 N10 O4	P -1	8.0321; 8.2137; 10.1222 73.271; 80.987; 65.449	581.19	Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials New J. Chem., 2017, 41, 1202
7120275	CIF	C4 Br3 Cd O P	P 63/m m c	9.839; 9.839; 6.934 90; 90; 120	581.3	Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong [(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature Chem. Commun., 2017
7227388	CIF	C4 H2 Li2 O6	C 1 2 1	15.075; 4.9857; 10.382 90; 131.84; 90	581.3	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
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
7042960	CIF	C12 H20 N18 O11	P -1	6.413; 10.1729; 10.5386 117.773; 100.209; 97.012	581.9	Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation Dalton Trans., 2017
1560614	CIF	Fe0.801 Li2.403 O8 Ti2.799	P 43 3 2	8.35013; 8.35013; 8.35013 90; 90; 90	582.21	Mukai, Kazuhiko; Kato, Yuichi; Nakano, Hideyuki Determination of cation distribution in the Fe[Li 1/2 Fe 3/2 ]O 4 −LiFeTiO 4 −Li[Li 1/3 Ti 5/3 ]O 4 system: Mixed nature of solid solution and superlattice Journal of Solid State Chemistry, 2017, 247, 67-76
7056437	CIF	C3 H N5 O3	P 1 21/n 1	5.5357; 9.1337; 11.5261 90; 91.852; 90	582.47	Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives New J. Chem., 2017
1560551	CIF	In Na3.25 P4 Sr2.75	P 63 m c	9.5114; 9.5114; 7.4365 90; 90; 120	582.62	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
7236558	CIF	C12 H10 N2 O4	P -1	4.0497; 10.774; 13.882 103.934; 96.959; 91.161	582.8	Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity Journal of Materials Chemistry A, 2017, 5, 7961
7042498	CIF	C2 H4 N12 Na2 O6	P 1 21/c 1	8.8347; 9.4711; 7.2402 90; 105.804; 90	582.92	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
4514294	CIF	C5 Ca4 Na2 O15	P 63 m c	10.37402; 10.37402; 6.25935 90; 90; 120	583.383	Rashchenko, Sergey V.; Bakakin, Vladimir V.; Shatskiy, Anton F.; Gavryushkin, Pavel N.; Seryotkin, Yurii V.; Litasov, Konstantin D. Noncentrosymmetric Na2Ca4(CO3)5 Carbonate of “M13M23XY3Z” Structural Type and Affinity between Borate and Carbonate Structures for Design of New Optical Materials Crystal Growth & Design, 2017, 17, 6079
7041904	CIF	C4 H8 F6 Mg O8	P -1	8.0985; 9.0458; 9.3604 88.324; 65.021; 71.131	583.55	Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A. Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn). Dalton transactions (Cambridge, England : 2003), 2017, 46, 1420-1430
7227970	CIF	C8 H8 O6 P2 Zn2	P 1 21/c 1	10.7451; 5.1443; 10.5886 90; 93.357; 90	584.29	Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour CrystEngComm, 2017
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
1547606	CIF	C18 H12	P 1 21/c 1	11.7846; 6.1519; 8.0708 90; 92.61; 90	584.51	Murai, Masahito; Iba, Shinji; Ota, Hiromi; Takai, Kazuhiko Azulene-Fused Linear Polycyclic Aromatic Hydrocarbons with Small Bandgap, High Stability, and Reversible Stimuli Responsiveness. Organic letters, 2017, 19, 5585-5588
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
1545175	CIF	C14 H14 O4	P 1 21 1	9.16074; 6.01447; 10.6243 90; 92.073; 90	584.984	Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science, 2017, 8, 2904-2913
7155642	CIF	C11 H9 F4 N3	P 1 21 1	7.1098; 5.6455; 14.581 90; 90.522; 90	585.23	Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application Org. Biomol. Chem., 2017
2242195	CIF HKL Paper	C4 H14 N12 O3	P -1	7.5893; 7.6077; 11.2319 85.564; 85.555; 65.007	585.29	Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E. Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate Acta Crystallographica Section E, 2017, 73, 1056-1061
4125513	CIF	C26 H22 B2 N4 O4	P -1	7.4283; 8.3837; 10.8769 95.785; 103.104; 114.473	585.8	Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727
2108169	CIF	D3 O4 P	P 21 21 21	4.6648; 8.6057; 14.5932 90; 90; 90	585.83	Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074
7227394	CIF	C4 H2 Li2 O6	C 1 2 1	15.181; 4.9938; 10.405 90; 131.943; 90	586.73	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7042791	CIF	C7 H14 N2 O8 P2	P -1	7.836; 8.142; 10.067 68.41; 84.66; 79.5	587	Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa Two isomorphous Co(II) coordination polymers based on new α,α-disubstituted derivatives of zoledronic acid: synthesis, structures and properties Dalton Trans., 2017
7041910	CIF	C4 H8 F6 Mg O8	P -1	8.142; 9.099; 9.25 87.85; 67.112; 69.439	587.2	Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A. Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn). Dalton transactions (Cambridge, England : 2003), 2017, 46, 1420-1430
7228015	CIF	C14 H21 N3 O3 S	P -1	5.7365; 8.0902; 12.894 82.422; 88.028; 82.178	587.58	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
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
1547585	CIF	C13 H14 N2 O3	P -1	6.1525; 9.8018; 10.5143 99.556; 103.113; 102.27	587.94	Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883
2242295	CIF HKL Paper	C11 H15 N3 O S	P -1	8.2799; 8.9169; 9.7451 104.597; 112.569; 105.22	588.7	Argibay-Otero, Saray; Vázquez-López, Ezequiel M. Crystal structure of <i>N</i>-(4-hydroxybenzyl)acetone thiosemicarbazone Acta Crystallographica Section E, 2017, 73, 1382-1384
7229266	CIF	Cd3 Mg O12 Se4	P -1	8.2921; 8.4207; 9.514 86.019; 64.762; 78.498	588.7	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
7236781	CIF	C11 H11 B F2 O3 S	P -1	7.963; 8.0155; 10.948 103.904; 101.576; 113.133	588.7	Sriram Babu, Seenivasagaperumal; Shanmugam, Sivakumar One-pot synthesis of boron diketonate complexes: photophysical properties and sensor for picric acid Journal of Materials Chemistry C, 2017, 5, 4788
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
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
4125698	CIF	C13 H7 Cl2 F O2	P 1 21 1	11.962; 3.883; 13.154 90; 104.983; 90	590.2	Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983
7041909	CIF	C4 H8 F6 Mg O8	P -1	8.1395; 9.0727; 9.3369 88.102; 65.91; 70.795	590.32	Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A. Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn). Dalton transactions (Cambridge, England : 2003), 2017, 46, 1420-1430
2242102	CIF Paper	C8 H6 N4 O8	P 1 21/n 1	6.1917; 5.5299; 17.4769 90; 99.233; 90	590.65	Sausa, Rosario C.; Pesce-Rodriguez, Rose A.; Wingard, Leah A.; Guzmán, Pablo E.; Sabatini, Jesse J. Crystal structure of 3,3'-biisoxazole-5,5'-bis(methylene) dinitrate (BIDN) Acta Crystallographica Section E, 2017, 73, 644-646
7227387	CIF	C4 H4 Li2 O6	C 1 2 1	15.247; 5.005; 10.4052 90; 131.936; 90	590.68	Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
4032686	CIF	C15 H13 N O2	P -1	7.5489; 8.9993; 9.2731 80.686; 81.816; 72.884	591.12	Sigalov, Mark V.; Shainyan, Bagrat A.; Sterkhova, Irina V. Photoinduced Intramolecular Bifurcate Hydrogen Bond: Unusual Mutual Influence of the Components. The Journal of organic chemistry, 2017, 82, 9075-9086
4126238	CIF	C6 H5 N O3	P 1 21/c 1	6.3511; 14.3305; 6.6757 90; 103.348; 90	591.17	Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J. CF2H, a Hydrogen Bond Donor. Journal of the American Chemical Society, 2017
7041907	CIF	C4 H8 F6 Mg0.45 Mn0.55 O8	P -1	8.1926; 9.0995; 9.4154 88.761; 63.982; 71.251	591.39	Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A. Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn). Dalton transactions (Cambridge, England : 2003), 2017, 46, 1420-1430
7119931	CIF	C30 H29 F N2 O2	P 1	5.354; 8.3824; 13.8585 96.477; 93.829; 105.841	591.42	Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A. Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides. Chemical communications (Cambridge, England), 2017, 53, 4601-4604
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
7227824	CIF	C8 H6 Cl2 Li N2 O5	P -1	7.975; 8.0294; 10.4361 94.183; 106.05; 110.302	591.66	Molčanov, Krešimir; Kojić-Prodić, Biserka Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ) CrystEngComm, 2017, 19, 1801
4126249	CIF	C11 H12 N2 O5	P 1 21 1	6.4316; 8.2971; 11.1074 90; 92.841; 90	592	Jiang, Huiling; Lang, Kai; Lu, Hongjian; Wojtas, Lukasz; Zhang, X. Peter Asymmetric Radical Bicyclization of Allyl Azidoformates via Cobalt(II)-Based Metalloradical Catalysis. Journal of the American Chemical Society, 2017
7228017	CIF	C14 H21 N3 O3 S	P -1	5.7168; 8.3457; 12.6434 81.496; 84.436; 85.47	592.5	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
1546608	CIF	C12 H8 F6 O3	P -1	4.9314; 9.4371; 13.4664 75.537; 83.093; 78.25	592.53	Smith, David T.; Vitaku, Edon; Njardarson, Jon T. Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products. Organic letters, 2017, 19, 3508-3511
4126953	CIF	C4 H12 Cl4 Fe N	P m a 2	14.268; 6.442; 6.451 90; 90; 90	592.9	Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals. Journal of the American Chemical Society, 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
2311720	CIF	C4 H12 Cl4 Fe N	P b m 2	6.4471; 14.2753; 6.4526 90; 90; 90	593.86	Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
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
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
7229377	CIF	C14 H18 Co N12 O16	P -1	6.688; 7.946; 12.609 75.352; 78.014; 67.635	594.9	Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties CrystEngComm, 2017
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
8106566	CIF	C13 H9 N3 S	P 1 21/m 1	8.5468; 7.0166; 10.3407 90; 106.225; 90	595.43	Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-aizari, Faiz A. Crystal structure of 2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)malononitrile, C13H9N3S Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 451-452
4345504	CIF	C5 H6 Cd2 Cl5 N	P n m m	10.262; 15.262; 3.8035 90; 90; 90	595.7	Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2). Inorganic chemistry, 2017, 56, 3506-3511
7228020	CIF	C14 H21 N3 O3 S	P -1	5.7694; 8.1369; 12.941 82.207; 87.842; 82.147	596.15	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
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
7119296	CIF	C12 H11 F3 N2 O2	P -1	7.2208; 9.3833; 9.5826 102.706; 105.918; 97.358	596.67	Gao, Guo-Lin; Yang, Chao; Xia, Wujiong Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis. Chemical communications (Cambridge, England), 2017, 53, 1041-1044
7229221	CIF	C12 H18 Ca I2 N6 O8	P -1	4.90323; 10.54663; 11.9651 94.539; 95.9258; 102.703	597.058	Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario Ionic co-crystals of enantiopure and racemic histidine with calcium halides CrystEngComm, 2017
7236630	CIF	C2 H14 N14 O4	P 1 21 1	3.6735; 20.633; 7.9016 90; 92.69; 90	598.24	Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials J. Mater. Chem. A, 2017, 5, 20867
7236870	CIF	C8 H6 N2 S6	P 1 21/c 1	4.0461; 9.9861; 14.8584 90; 94.697; 90	598.33	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
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
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
4038948	CIF	C14 H4 N4 O2 S2	P 1 21/n 1	3.8045; 9.6098; 16.4052 90; 92.4211; 90	599.25	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
2242122	CIF HKL Paper	C5 H6 Cl N3	P 21 21 21	3.7565; 8.7002; 18.35 90; 90; 90	599.7	Sulovari, Aron; Tanski, Joseph M. Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine Acta Crystallographica Section E, 2017, 73, 1213-1217
1551886	CIF	C31 H32 N4 Ni	P -1	8.4416; 10.8919; 7.2749 90.465; 113.158; 78.08	599.74	Daniel R. Hummer; Bruce C. Noll; Robert M. Hazen; Robert T. Downs Crystal structure of abelsonite, the only known crystalline geoporphyrin American Mineralogist, 2017, 102, 1129-1132
9017145	CIF	C31 H32 Cr0.02 Fe0.05 N4 Ni0.93	P -1	8.4416; 10.8919; 7.2749 90.465; 113.158; 78.08	599.743	Hummer, D. R.; Noll, B. C.; Hazen, R. M.; Downs, R. T. Crystal structure of abelsonite, the only known crystalline geoporphyrin Note: T = 100 K American Mineralogist, 2017, 102, 1129-1132
4126328	CIF	C12 H22 O2	P 1 21 1	7.2193; 6.1407; 13.5485 90; 92.901; 90	599.86	Jin, Shengfei; Nguyen, Vu T.; Dang, Hang T.; Nguyen, Dat P.; Arman, Hadi D.; Larionov, Oleg V. Photoinduced Carboborative Ring Contraction Enables Regio- and Stereoselective Synthesis of Multiply Substituted Five-Membered Carbocycles and Heterocycles. Journal of the American Chemical Society, 2017
4125689	CIF	C12 H11 F3 O2 S	P 1	7.9193; 8.1426; 10.5945 104.903; 109.324; 99.177	600.17	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
7155789	CIF	C12 H13 N O4	P -1	4.9045; 10.4027; 12.0076 83.328; 80.762; 89.239	600.58	Lv, Honggui; Shi, Jingjing; Huang, Junjun; Zhang, Chao; yi, wei Rhodium(III)-catalyzed and MeOH-involved regioselective mono-alkenylation of N-arylureas with acrylates Org. Biomol. Chem., 2017
1546501	CIF	C14 H10 Br N O	P -1	6.6243; 8.5016; 10.8522 83.908; 86.04; 82.465	601.52	Nguyen, Thanh Binh; Retailleau, Pascal Elemental Sulfur-Promoted Oxidative Rearranging Coupling between o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under Mild Conditions. Organic letters, 2017, 19, 3887-3890
7229260	CIF	C3 H5 Cu N4 S	P 1 21/c 1	8.8733; 6.4879; 10.8539 90; 105.551; 90	601.97	Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization CrystEngComm, 2017
7041754	CIF	C12 H18 N4 O	P -1	7.4242; 8.6729; 10.7671 99.558; 103.319; 111.723	602.02	Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1). Dalton transactions (Cambridge, England : 2003), 2017, 46, 1684-1693
4345043	CIF	C22 H18 N6 O10 Zn	P -1	5.4593; 6.3761; 17.7415 93.204; 91.7556; 102.199	602.11	Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties. Inorganic chemistry, 2017, 56, 1713-1721
4345404	CIF	Co0.18 O12.92 P3 Sr5	P 63/m	9.7563; 9.7563; 7.3053 90; 90; 120	602.2	Kazin, Pavel E.; Zykin, Mikhail A.; Schnelle, Walter; Zubavichus, Yan V.; Babeshkin, Konstantin A.; Tafeenko, Victor A.; Felser, Claudia; Jansen, Martin Cobalt-Based Single-Ion Magnets on an Apatite Lattice: Toward Patterned Arrays for Magnetic Memories. Inorganic chemistry, 2017, 56, 1232-1240
7155809	CIF	C16 H11 N O2	P -1	7.418; 7.5529; 10.9647 80.836; 86.503; 84.074	602.621	Nallagonda, Rajender; Reddy, Reddy Rajasekhar; Ghorai, Prasanta Nitrile-Assisted Oxidation over Oxidative-Annulation: Pd-Catalyzed α,β-Dehydrogenation of α-Cinnamyl β-Keto Nitriles Org. Biomol. Chem., 2017
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
7055871	CIF	C3 H5 N5 O2	P 1 21/n 1	3.8235; 16.595; 9.641 90; 99.676; 90	603	Zhou, Tianhong; Li, Yanfeng; Xu, Kangzhen; Song, Jirong; Zhao, Fengqi The new role of 1,1-diamino-2,2-dinitroethylene (FOX-7): two unexpected reactions New J. Chem., 2017, 41, 168
7119898	CIF	C12 H18 N2 O2	P 1 21 1	7.7667; 5.8151; 13.6758 90; 102.312; 90	603.45	Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks. Chemical communications (Cambridge, England), 2017, 53, 3705-3708
4032857	CIF	C14 H19 N O	P 1 n 1	5.13742; 9.0247; 13.0607 90; 94.461; 90	603.71	Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E. Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations. The Journal of organic chemistry, 2017, 82, 10297-10309
7228018	CIF	C14 H21 N3 O3 S	P -1	5.7996; 8.1816; 12.978 82.064; 87.702; 82.134	604.03	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
7056409	CIF	C3 H5 N9 O12	P 1 21 1	7.484; 7.8907; 10.2465 90; 93.122; 90	604.2	Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide New J. Chem., 2017
2311867	CIF Paper	C5 H5 Cl Li N	P 21 21 21	3.9329; 8.615; 17.836 90; 90; 90	604.3	Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J. Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 264-269
4125617	CIF	C24 H16 Co N10 Se2	P -1	8.0891; 8.6468; 9.3489 81.292; 72.583; 76.509	604.36	Aragones, Albert C.; Aravena, Daniel; Valverde-Muñoz, Francisco J; Real, Jose Antonio; Sanz, Fausto; Díez-Pérez, Ismael; Ruiz, Eliseo Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices. Journal of the American Chemical Society, 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
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
7056619	CIF	C12 H10 B F2 N5	P -1	7.7785; 8.8782; 9.621 91.401; 102.708; 109.795	606.29	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
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
7228026	CIF	C14 H21 N3 O3 S	P -1	5.7692; 8.421; 12.7212 81.231; 84.74; 85.557	606.96	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
7120568	CIF	C12 H10 S4	P 1 21/c 1	9.6642; 5.65404; 11.1188 90; 91.6704; 90	607.29	Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo Methylthionated benzo[1,2-b:4,5-b′]dithiophenes: a model study to control packing structures and molecular orientation in thienoacene-based organic semiconductors Chem. Commun., 2017
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
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
7155968	CIF	C25 H32 N2 O7	P 1	6.0765; 9.6451; 11.0698 89.902; 75.421; 76.398	609.14	Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus Organic & Biomolecular Chemistry, 2017
8106698	CIF	C2 H3 K N4 S	P n m a	13.874; 6.5644; 6.6911 90; 90; 90	609.39	Wang, Xiuhang Crystal structure of potassium 1-methyl-1H-1,2,3,4-tetrazole-5-thiolate, C2H3N4SK Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 845-847
4126951	CIF	C4 H12 Cl4 Fe N	A m m 2	7.218; 9.019; 9.362 90; 90; 90	609.5	Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals. Journal of the American Chemical Society, 2017
7119522	CIF	C14 H15 N3 O	P 1 21 1	4.5946; 24.212; 5.7315 90; 106.629; 90	610.93	Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W. Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas. Chemical communications (Cambridge, England), 2017, 53, 2024-2027
4126082	CIF	C17 H11 N O2	P -1	4.8941; 11.54; 11.594 70.969; 85.557; 80.892	611	Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration. Journal of the American Chemical Society, 2017
1560329	CIF	Cd Cs2 O6 Se2	R -3 m :H	5.8254; 5.8254; 20.8009 90; 90; 120	611.314	Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4 Journal of Solid State Chemistry, 2017, 256, 213-218
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
2311722	CIF	C4 H12 Cl4 Fe N	P 1 21/m 1	6.574; 14.156; 6.595 90; 93.87; 90	612.3	Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
7042502	CIF	C2 Cs2 N12 O4	P 1 21/c 1	5.5885; 12.4847; 8.7893 90; 92.25; 90	612.76	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
7229333	CIF	C2 H8 N6 O2	P n a 21	9.28; 4.5988; 14.376 90; 90; 90	613.5	Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li A facile method to prepare energetic materials (EMs) RSC Adv., 2017, 7, 48161
7155841	CIF	C4 H5 I O2	P 1 21/c 1	7.1646; 5.8851; 14.5753 90; 93.051; 90	613.69	Vanden Berg, Timothy J.; Pinkerton, David M.; Williams, Craig M. 7-Step total synthesis of (+)-EBC-329: Photoisomerisation reveals new seco-casbane family member Org. Biomol. Chem., 2017
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
2242069	CIF HKL Paper	C8 H9 N2 O3 Re S2	P -1	5.7442; 7.5022; 14.6644 91.496; 95.517; 102.371	613.708	Tan, Sang Loon; Lee, See Mun; Heard, Peter J.; Halcovitch, Nathan R.; Tiekink, Edward R. T. <i>fac</i>-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ^2^<i>S</i>,<i>S</i>')rhenium(I): crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E, 2017, 73, 213-218
7056023	CIF	C14 H10 N2 O Se	P -1	5.539; 8.1345; 13.8742 94.771; 98.816; 93.294	614.04	Kumar, Sanjeev; Sharma, Nidhi; Maurya, Indresh K.; Verma, Ajay; Kumar, Sangit; Bhasin, K. K.; Sharma, Rohit K. Insights into selenylation of imidazo[1,2-a]pyridine: synthesis, structural and antimicrobial evaluation New J. Chem., 2017, 41, 2919
7155959	CIF	C12 H14 N6 O	P -1	8.3805; 8.9419; 9.0849 103.317; 107.305; 98.863	614.08	Frongia, Angelo; Aitken, David J.; Boddaert, Thomas; Ghisu, Lorenza; Arca, Massimiliano; Secci, Francesco; Caboni, P.; Guillot, Régis; Melis, Nicola Synthesis of 2,2-bis(pyridin-2-yl amino)cyclobutanols and their conversion into 5-(pyridin-2-ylamino)dihydrofuran-2(3H)-ones Organic & Biomolecular Chemistry, 2017
8106419	CIF	C11 H7 Co2 N3 O7	P -1	7.8744; 9.2561; 9.6688 65.775; 87.625; 73.654	614.48	Teng, Da; Han, Jing; Meng, Qinghua; Rong, Liangce Crystal structure of poly-[aqua-(μ7-benzene-1,3,5-tricarboxylato)-(μ3-1,2,4-triazol-1-ido)dicobalt(II)], C11H7Co2N3O7 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 25-26
7228029	CIF	C14 H21 N3 O3 S	P -1	5.8398; 8.2425; 13.031 81.891; 87.556; 82.156	614.98	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
1546699	CIF HKL Paper	C14 H14 N2 O2	P -1	8.4015; 9.0041; 9.1465 114.214; 101.275; 90.978	615.19	El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T. 1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one IUCrData, 2017, 2, x170656
7120570	CIF	C12 H10 S4	P -1	5.82323; 7.7052; 14.068 78.199; 84.691; 88.49	615.21	Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo Methylthionated benzo[1,2-b:4,5-b′]dithiophenes: a model study to control packing structures and molecular orientation in thienoacene-based organic semiconductors Chem. Commun., 2017
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
7056415	CIF	C3 H2 K N9 O11	P 1 21 1	7.4594; 7.8789; 10.4774 90; 90.745; 90	615.72	Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide New J. Chem., 2017
7229367	CIF	C20 H30 Li2 N2 O12	P -1	7.4372; 8.2866; 10.62 98.674; 107.377; 90.655	616.38	Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid CrystEngComm, 2017
1546343	CIF	C8 H10 Ba N4 O8	P -1	7.5017; 9.5304; 9.809 65.533; 74.971; 83.42	616.46	L.A. Solovyov; N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal structure, spectroscopic and thermal properties Journal of Coordination Chemistry, 2017, 70, 1984-1993
1560330	CIF	Cd3 Li2 O12 Se4	P -1	7.7204; 8.659; 10.7265 103.312; 92.215; 116.453	616.49	Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4 Journal of Solid State Chemistry, 2017, 256, 213-218
7120569	CIF	C12 H10 S4	P 1 21/c 1	8.37267; 13.9725; 5.34146 90; 99.362; 90	616.56	Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo Methylthionated benzo[1,2-b:4,5-b′]dithiophenes: a model study to control packing structures and molecular orientation in thienoacene-based organic semiconductors Chem. Commun., 2017
7120373	CIF	C15 H10 N2 S	P -1	3.905; 12.317; 13.486 74.773; 83.574; 81.477	617.2	Janni, Manojkumar; Thriupathi, Annaram; Arora, Sahil; Peruncheralathan, Saravanan Chemoselective Ullmann Coupling at Room Temperature: A Facile Access to 2-Aminobenzo[b]thiophenes Chem. Commun., 2017
2242012	CIF HKL	C14 H10 N4 O3	P -1	5.7504; 9.719; 12.1976 111.196; 96.759; 98.497	617.69	Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Bortoluzzi, Adaílton João; de Farias, Renan Lira; de Oliveira, Adriano Bof Crystal structure of (3<i>E</i>)-5-nitro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one Acta Crystallographica Section E, 2017, 73, 168-172
3500071	CIF HKL	C7 H3 N3	I 1 2/a 1	7.4485; 6.1845; 13.4791 90; 95.757; 90	617.79	Thierry Maris Personal communication to COD, 2017
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
2020686	CIF HKL	C14 H11 I N2	P -1	6.4606; 8.2346; 12.3451 108.064; 94.174; 95.366	618.05	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
4126411	CIF	C13 H18 F N O2	P -1	5.3296; 10.3296; 12.0234 74.8164; 85.3302; 75.455	618.25	Parisi, Giovanna; Colella, Marco; Monticelli, Serena; Romanazzi, Giuseppe; Holzer, Wolfgang; Langer, Thierry; Degennaro, Leonardo; Pace, Vittorio; Luisi, Renzo Exploiting a "Beast" in Carbenoid Chemistry: Development of a Straightforward Direct Nucleophilic Fluoromethylation Strategy. Journal of the American Chemical Society, 2017
1545299	CIF	C23 H24 Cl2 Co N5 O2 P	P 1	7.881; 8.61; 10.582 101.612; 110.925; 103.559	619	Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control Polym. Chem., 2017, 8, 1805
2020768	CIF HKL	C11 H8 F N3 O6	P -1	5.9011; 9.795; 11.674 110.76; 91.84; 99.59	619.1	Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D. Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid Acta Crystallographica Section C, 2017, 73, 259-263
1546656	CIF HKL Paper	C16 H10 O4	P -1	6.9243; 7.7262; 11.8168 84.55; 81.852; 83.023	619.22	Kambo, Konan René; Sosso, Siaka; Mansilla-Koblavi, F.; Djandé, Abdoulaye; Kakou-Yao, Rita 2-Oxo-2<i>H</i>-chromen-3-yl benzoate IUCrData, 2017, 2, x170663
4032377	CIF	C15 H10 F3 N O2	P 1 21 1	8.6464; 5.6834; 12.7817 90; 99.604; 90	619.3	Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation. The Journal of organic chemistry, 2017, 82, 3589-3596
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
4125500	CIF	C24 H26 N4 O6 S2	P -1	6.8608; 7.4854; 12.4733 94.583; 100.837; 97.837	619.6	Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862
7236613	CIF	C6 Ag2 N10 O8	P 1 21/n 1	8.6085; 8.3879; 8.7084 90; 99.777; 90	619.68	Shen, Cheng; Xu, Yuan-gang; Lu, Ming A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance Journal of Materials Chemistry A, 2017, 5, 18854
7228619	CIF	C8 H11 N7 O5	P -1	6.7821; 9.5516; 10.388 94.882; 96.973; 110.449	619.95	Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang Synthesis, structure and properties of imidazolium-based energetic ionic liquids RSC Adv., 2017, 7, 33231
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
7228721	CIF	C9 H16 Cl N5	P -1	5.1163; 10.011; 12.451 93.943; 96.452; 100.613	620.2	Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature CrystEngComm, 2017
7042925	CIF	C18 H26 Cl4 Cr2 N4 O4	P -1	8.2906; 8.5467; 10.1679 112.4; 101.243; 102.099	620.48	Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan Magneto-structural correlations in a family of dialkoxo bridged chromium dimers Dalton Trans., 2017
2311430	CIF Paper	C13 H14 N2 O2	P 1 c 1	7.597; 11.6665; 7.6754 90; 114.2; 90	620.49	Fábry, Jan 4-Amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42: a redetermination from the original data. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1508-1512
7227251	CIF	C8 H20 B0.504 F4.992 N P0.496	I -4	9.324; 9.324; 7.1369 90; 90; 90	620.5	Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases. Physical chemistry chemical physics : PCCP, 2017, 19, 2053-2059
7228164	CIF	C4 H2 Cl I N2	P n m a	14.8774; 6.7419; 6.1893 90; 90; 90	620.8	Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines CrystEngComm, 2017
1546211	CIF	C16 H12 Br N	P -1	4.4612; 11.7056; 13.0331 67.332; 89.169; 81.812	621.02	Kumar, Gangam Srikanth; Kumar, Pravin; Kapur, Manmohan Traceless Directing-Group Strategy in the Ru-Catalyzed, Formal [3 + 3] Annulation of Anilines with Allyl Alcohols: A One-Pot, Domino Approach for the Synthesis of Quinolines. Organic letters, 2017, 19, 2494-2497
1547050	CIF	C12 H15 Cl2 N O2	P 1 21 1	7.3539; 7.4949; 11.3571 90; 96.835; 90	621.52	Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J. Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites. Organic letters, 2017, 19, 4572-4575
1546837	CIF	C18 H6 S3	P 1 21 1	9.785; 7.3055; 9.929 90; 118.84; 90	621.7	Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes Chemical Communications, 2017, 53, 10279-10282
7042544	CIF	C2 Co F5 Ga N3	I m m a	9.0193; 7.3421; 9.3901 90; 90; 90	621.82	Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M. A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V). Dalton transactions (Cambridge, England : 2003), 2017, 46, 5352-5362
1547043	CIF	C12 H15 Cl2 N O2	P 1 21 1	7.3612; 7.4951; 11.3569 90; 96.832; 90	622.14	Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J. Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites. Organic letters, 2017, 19, 4572-4575
1545575	CIF	C14 H19 N O2	P 1 21 1	6.399; 11.401; 8.532 90; 91.285; 90	622.3	Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun Synthesis of the ABC Tricyclic System of Daphnicyclidin A. Organic letters, 2017, 19, 1497-1499
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
4514231	CIF	C13 H11 Br O2 S	P -1	6.6244; 9.5477; 11.0255 69.728; 77.396; 74.138	623.31	Li, Yiming; Wang, Ming; Jiang, Xuefeng Controllable Sulfoxidation and Sulfenylation with Organic Thiosulfate Salts via Dual Electron- and Energy-Transfer Photocatalysis ACS Catalysis, 2017, 7, 7587
1546490	CIF	C13 H13 N3 O3	P 1 21 1	10.479; 4.9873; 12.644 90; 109.361; 90	623.4	Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340
7044055	CIF	Co2 H3 O9 P3 Pb	R 3 m :H	5.3145; 5.3145; 25.494 90; 90; 120	623.6	Kovrugin, Vadim M.; Colmont, Marie; Siidra, Oleg I.; Krivovichev, Sergey V.; Colis, Silviu; Mentré, Olivier The First Lead Cobalt Phosphite, PbCo2(HPO3)3 Dalton Trans., 2017
7228019	CIF	C14 H21 N3 O3 S	P -1	5.8202; 8.536; 12.7885 80.81; 85.069; 85.606	623.6	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
8106662	CIF	C20 H24 Co N14 O4	P -1	7.797; 8.766; 9.709 73.554; 86.46; 78.537	623.7	Ling-Yun, Xin; Hai-Yan, Zhang; Guang-Zhen, Liu Crystal structure of diaqua-catena-poly[diaqua-bis(μ2-5-(4-(1H-1,2,4-triazol-1-yl)phenyl)tetrazol-2-ido-κ2 N:N′)cobalt(II)] dihydrate, C20H24CoN14O4 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 741-743
7155515	CIF	C9 H15 N O5 S	P 1 21 1	6.2179; 10.0744; 10.4155 90; 107.042; 90	623.8	Gan, Shaoyan; Yin, Junjie; Yao, Yuan; Liu, Yang; Chang, Denghu; Zhu, Dan; Shi, Lei Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides. Organic & biomolecular chemistry, 2017, 15, 2647-2654
4032107	CIF	C16 H16 O2	P 1 n 1	6.4258; 9.9859; 10.2112 90; 107.515; 90	624.85	D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M. Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes. The Journal of organic chemistry, 2017, 82, 471-480
7228012	CIF	C14 H21 N3 O3 S	P -1	5.8787; 8.2985; 13.07 81.714; 87.395; 82.183	624.88	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
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
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
4032128	CIF	C12 H20 N2 O2	P -1	4.9314; 9.9036; 13.2788 97.898; 91.398; 102.64	625.8	Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl. The Journal of organic chemistry, 2017, 82, 1096-1104
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
1553750	CIF	C26 H31 N3 O6	P 1	9.0047; 9.2247; 9.4826 109.875; 108.593; 107.103	626.45	Guo, Jing; Lin, Zi-Hui; Chen, Kai-Bin; Xie, Ying; Chan, Albert S. C.; Weng, Jiang; Lu, Gui Asymmetric amination of 2-substituted indolin-3-ones catalyzed by natural cinchona alkaloids Organic Chemistry Frontiers, 2017, 4, 1400
7056346	CIF	C22 H27 Cl3 Mn N2 O7	P -1	6.9737; 10.1021; 10.3328 66.047; 73.622; 73.682	626.64	Chattopadhyay, Shouvik; Sarkar, Nandita; Harms, Klaus; Frontera, Antonio The importance of unconventional C‒H•••π(SCN) interactions in stabilizing the unexpected syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: Exploration of catechol oxidase and phenoxazinone synthase like activities New J. Chem., 2017
2020900	CIF HKL Paper	C13 H13 N3 O S	P -1	8.4341; 8.6991; 10.1083 91.249; 113.506; 110.292	626.74	Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole Acta Crystallographica Section C, 2017, 73, 905-910
7055868	CIF	C8 H16 N6 Ni O4	P 1 21/n 1	9.8999; 5.7496; 11.1292 90; 98.159; 90	627.07	Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu. Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity New J. Chem., 2017, 41, 316
4033066	CIF	C14 H20 O3	P -1	5.575; 10.617; 10.854 88.562; 89.239; 77.545	627.1	Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors. The Journal of organic chemistry, 2017, 82, 9452-9463
7120675	CIF	C15 H12 N2 O3	P 1 21 1	8.1122; 7.8149; 10.1296 90; 102.368; 90	627.27	Bose, Anima; Mal, Prasenjit Weak Interactions Controlled C-H Mono-Nitration of Indolines Chem. Commun., 2017
2311521	CIF	C26 H20 Cl2 N2 O10	P -1	4.4745; 10.5448; 13.6111 96.652; 94.109; 99.009	627.37	Gotoh, Kazuma; Ishida, Hiroyuki Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1840-1844
7227268	CIF	C22 H18 F4 I2 N6 O2	P -1	4.5613; 10.2296; 13.7303 80.28; 83.693; 87.814	627.52	Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S. Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes CrystEngComm, 2017, 19, 484
7229498	CIF	C13 H12 N2 O5	P -1	8.4937; 8.684; 10.0187 70.661; 81.94; 64.185	627.68	Zhu, Luyi; Yan, Peipei; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu TiCl4/DMAP mediated Z-selective knovenagel condensation of isatins with nitroacetates and related compounds RSC Advances, 2017, 7, 51352
7120038	CIF	C13 H14 N2 O3	P -1	8.7022; 8.7472; 9.3558 107.09; 109.747; 94.64	627.7	Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang Lanthanide separation using size-selective crystallization of Ln-MOFs Chem. Commun., 2017
7236439	CIF	C12 H17 N O4	P -1	7.462; 7.524; 11.643 98.794; 90.593; 103.259	628.1	Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi 1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications Journal of Materials Chemistry B, 2017, 5, 464
4127026	CIF	C18 H38 Cl2 N6 Ni O6	P -1	6.5665; 8.8382; 11.8641 71.886; 86.219; 73.762	628.15	Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J. A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation. Journal of the American Chemical Society, 2017
8106414	CIF	C14 H8 N6 O2	P 1 21/c 1	9.2129; 5.0321; 13.76 90; 100.02; 90	628.2	Karczmarzyk, Zbigniew; Branowska, Danuta; Wysocki, Waldemar; Bancerz, Ilona; Urbańczyk-Lipkowska, Zofia Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 11-12
7119630	CIF	C16 H16 O2	P -1	7.5822; 8.8509; 10.0505 93.807; 110.4; 92.911	628.81	Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds. Chemical communications (Cambridge, England), 2017, 53, 2677-2680
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
7228448	CIF	C6 H9 Ba O10 P3	P -1	8.461; 8.506; 9.302 98.71; 98.91; 103.81	629.8	Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H. Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers CrystEngComm, 2017
7235154	CIF	C14 H8 S4	P -1	5.7171; 8.601; 13.2287 87.647; 77.952; 82.023	629.96	Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes Journal of Materials Chemistry C, 2017, 5, 582-588
7236850	CIF	C17 H13 N O2	P -1	7.1873; 9.3467; 9.6678 95.859; 102.212; 90.885	630.99	Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism Journal of Materials Chemistry C, 2017, 5, 7191
7228489	CIF	C3 H7 N O7	P 1 21/c 1	3.5787; 19.2352; 9.1906 90; 93.645; 90	631.37	Molcanov, Kresimir; Jelsch, Christian; Wenger, Emmanuel; Stare, Jernej; Madsen, Anders Østergaard; Kojic-Prodic, Biserka Experimental evidence of 3-centre, 2-electron covalent bond character of the central O-H-O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate CrystEngComm, 2017
7227222	CIF	C14 H9 Br F2 O3	P -1	6.6847; 8.2593; 12.7076 71.172; 85.353; 72.077	631.7	Gautam, Prashant; Kathe, Prasad; Bhanage, Bhalchandra M. Pd/C catalyzed phenoxycarbonylation using N-formylsaccharin as a CO surrogate in propylene carbonate, a sustainable solvent Green Chem., 2017, 19, 823
7228414	CIF	C17 H13 F O2	P -1	6.7021; 7.9371; 12.17 85.327; 80.53; 82.517	631.93	Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang Metal triflate promoted synthesis of naphthalenes RSC Adv., 2017, 7, 29321
4032533	CIF	C13 H13 N3 O S	P -1	7.5226; 8.7242; 10.8567 70.464; 74.325; 73.849	632.52	Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles. The Journal of organic chemistry, 2017, 82, 5310-5316
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
7120057	CIF	C15 H13 F2 N O2	P -1	7.4538; 9.224; 10.1161 72.845; 78.348; 73.761	632.6	Adouama, Chérif; Keyrouz, Robert; pilet, guillaume; Monnereau, Cyrille; Gueyrard, David; Noel, Timothy; Médebielle, Maurice Access to cyclic gem-difluoroacyl scaffolds via electrochemical and visible light photocatalytic radical tandem cyclization of heteroaryl chlorodifluoromethyl ketones Chem. Commun., 2017
4125526	CIF	C26 H20 B2 Cl2 N4 O4	P -1	6.757; 9.7827; 10.5456 112.762; 94.006; 96.904	632.96	Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727
1546640	CIF HKL Paper	C16 H9 F O4	P -1	6.8116; 7.2402; 13.4826 96.943; 90.862; 106.139	633.21	Ziki, Eric; Sosso, Siaka; Cissé, Lamine; Bany, Guy Euloge; Djandé, Abdoulaye; Kakou-Yao, Rita 2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate IUCrData, 2017, 2, x170550
2311962	CIF Paper	C12 H8 Au K N4	P 1 21 1	3.72856; 18.8381; 9.1981 90; 101.337; 90	633.46	Döring, Cindy; Strey, Mark; Jones, Peter G. The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 1104-1108
1547650	CIF	C12 H19 B O3	P -1	5.0668; 10.184; 13.252 72.888; 84.617; 75.928	633.7	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
7056372	CIF	C12 H8 F3 N2 O2 S	P -1	5.8417; 8.906; 12.8197 86.18; 88.587; 72.272	633.87	S. Chourasiya, Sumit; Patel, Dhara; Nagaraja, C. M.; Chakraborti, Asit Kumar; Bharatam, Prasad. V. Sulfonamide vs.Sulfonimide: Tautomerism and Electronic Structure Analysis of N-Heterocyclic Arenesulfonamides New J. Chem., 2017
8106695	CIF	C4 H12 Co N4 O10	P 1 21/n 1	7.9379; 6.0324; 13.6542 90; 104.184; 90	633.89	Brito, Iván; González, Brayan; Cárdenas, Alejandro Crystal structure of catena-poly[tetraaqua-(μ2-succinonitrile-κ 2 N:N′)cobalt(II)] dinitrate, C4H12CoN4O10 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 837-838
7227607	CIF	C13 H17 N3 O2	P -1	7.8721; 8.4927; 10.4598 68.931; 89.853; 77.388	634.58	Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan Oxidation of diazenyl-protected N-heterocycles ‒ a new entry to functionalized lactams RSC Adv., 2017, 7, 9461
4516909	CIF	C11 H9 Cl N4 O4	P -1	6.795; 7.4766; 13.7306 77.211; 88.2; 69.323	635.6	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
8106541	CIF	C22 H27 Cu N4 O12.5	P -1	7.395; 9.4574; 9.6619 81.139; 75.457; 77.974	636.02	Zhang, Qian; Chen, Lei; Yu, Qiong-Yan Crystal structure of tetraaqua-bis(1,3-benzimidazol-3-ium-1,3-diacetato-κO)copper(II) hemihydrate, C22H27CuN4O12.50 Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 375-377
4131741	CIF	C14 H20 O3	P 1 21 1	8.5539; 7.6851; 10.5736 90; 113.779; 90	636.08	Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B. Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures. Journal of the American Chemical Society, 2017, 139, 16377-16388
2311490	CIF	C24 H24 Co N6 O6 S2	P -1	8.162; 8.8158; 9.5078 98.531; 109.218; 92.062	636.22	Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min Crystal structure of a looped-chain Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[bis-(nitrato-κ<i>O</i>)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']]. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1700-1703
7042547	CIF	C2 F5 N3 V Zn	I m m a	9.0595; 7.4628; 9.4321 90; 90; 90	637.7	Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M. A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V). Dalton transactions (Cambridge, England : 2003), 2017, 46, 5352-5362
7228021	CIF	C14 H21 N3 O3 S	P -1	5.9272; 8.3697; 13.124 81.58; 87.185; 82.254	637.89	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
7155519	CIF	C14 H17 N3	P -1	5.8794; 7.4664; 15.5877 92.948; 93.41; 110.44	638.14	Sun, Chenyang; Yuan, Xiao; Li, Yan; Li, Xiaoxiao; Zhao, Zhigang N(1)-Selective alkenylation of 1-sulfonyl-1,2,3-triazoles with alkynes via gold catalysis. Organic & biomolecular chemistry, 2017, 15, 2721-2724
7059091	CIF	C8 H12 Br4 Se	P -1	7.5472; 7.8647; 11.259 77.095; 84.024; 79.049	638.2	Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A. First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex New Journal of Chemistry, 2017, 41, 3606
1544811	CIF	C14 H6 Br2 F4	P 1 21/c 1	10.453; 4.7776; 12.787 90; 91.545; 90	638.4	Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks Polym. Chem., 2017, 8, 879
2108194	CIF HKL	H7.84 K1.29 N1.71 O8 S2	R -3 :H	5.7768; 5.7768; 22.0983 90; 90; 120	638.65	Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A. New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase Acta Crystallographica Section B, 2017, 73, 1105-1113
1546739	CIF HKL Paper	C6 H7 N3 O	P 1 21/n 1	3.7592; 6.7317; 25.29 90; 93.106; 90	639	Rillema, D. Paul; Senaratne, Nilmini K.; Moore, Curtis; KomReddy, Venugopal 5-Methylpyrazine-2-carboxamide IUCrData, 2017, 2, x171090
4125646	CIF	C30 H28 Cl2 O4	P -1	6.7057; 10.4349; 10.471 115.281; 101.865; 93.508	639.11	Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles. Journal of the American Chemical Society, 2017, 139, 3106-3114
7042543	CIF	C2 F5 Fe1.06 N3 Zn0.94	I m m a	9.0753; 7.44521; 9.4607 90; 90; 90	639.24	Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M. A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V). Dalton transactions (Cambridge, England : 2003), 2017, 46, 5352-5362
7042546	CIF	C2 Co F5 N3 V	I m m a	9.0738; 7.4627; 9.4407 90; 90; 90	639.28	Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M. A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V). Dalton transactions (Cambridge, England : 2003), 2017, 46, 5352-5362
1545396	CIF	C16 H10 Cl N O2	P -1	7.454; 7.9852; 12.3366 78.039; 87.32; 63.031	639.29	Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones. Organic letters, 2017, 19, 1330-1333
8106686	CIF	C15 H12 N2 O S	P -1	6.4172; 9.7237; 10.5031 84.838; 87.561; 78.557	639.54	Yan, Ling-Ling; Cai, Hong-Xin Crystal structure of 3-benzyl-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C15H12N2OS Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 811-812
1546326	CIF	C19 H10 O3	P -1	6.958; 8.66; 11.304 106.451; 92.498; 100.27	639.6	Han, Jie; Wang, Tao; Liang, Yong; Li, Ying; Li, Chenchen; Wang, Rui; Feng, Siqi; Zhang, Zunting Transition-Metal-Free Photoinduced Intramolecular Annulation of 2,3-Di(hetero)arylchromen-4-one Organic Letters, 2017
1553577	CIF	C15 H15 Br O2	P 1 21 1	7.813; 5.321; 15.394 90; 91.594; 90	639.7	Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities Organic Chemistry Frontiers, 2017, 4, 1084
4125814	CIF	C26 H20 B2 Br0.8 Cl1.2 N4 O4	P -1	6.797; 9.802; 10.6491 113.714; 93.663; 96.856	640.03	Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727
1548794	CIF HKL Paper	C13 H14 N2 O2 S	P -1	4.8078; 7.7314; 17.8011 93.412; 94.564; 103.05	640.5	Missioui, Mohcine; Mague, Joel T.; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Ramli, Youssef Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate IUCrData, 2017, 2, x171763
2311973	CIF Paper	C14 H20 O3	P -1	7.9565; 8.5027; 11.0842 77.857; 76.632; 62.158	640.51	Suárez, Sebastián; Manzano, Veronica E.; Fantoni, Adolfo C.; Halac, Emilia; Baggio, Ricardo; Cukiernik, Fabio D. A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 1137-1143
7228016	CIF	C14 H21 N3 O3 S	P -1	5.8913; 8.5944; 12.8846 80.681; 85.494; 85.723	640.51	Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. Effect of pressure on two polymorphs of tolazamide: why no interconversion? CrystEngComm, 2017, 19, 2243
7155726	CIF	C12 H13 Cl N4 O	P -1	7.6687; 9.7813; 9.8658 116.485; 91.631; 102.325	640.6	Collet, Jurrien; Foley, Christopher; Shaw, Arthur Y.; Orru, Romano; Ruijter, E.; Hulme, Christopher Copper (I) Catalyzed Oxidative Hydrolysis of Ugi 3-Component and Ugi-Azide Reaction Products Towards 2o α-Ketoamides and α-Ketotetrazoles Org. Biomol. Chem., 2017
7042857	CIF	C2 H6 Cl2 Si	C m c m	8.7688; 9.1937; 7.948 90; 90; 90	640.75	Wagler, Jörg; Gericke, Robert Molecular structures of various alkyldichlorosilanes in the solid state Dalton Trans., 2017
1556035	CIF	C14 H16 N4 O	P 1 21/m 1	7.7378; 6.7075; 12.6395 90; 102.323; 90	640.89	Foley, Christopher; Shaw, Arthur; Hulme, Christopher Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles. Organic letters, 2017, 19, 2238-2241
7042545	CIF	C2 Co0.93 F5 Fe1.07 N3	I m m a	9.0882; 7.4479; 9.4689 90; 90; 90	640.93	Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M. A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V). Dalton transactions (Cambridge, England : 2003), 2017, 46, 5352-5362
1545271	CIF	C12 H14 N2 O6	P 1 21 1	7.0627; 9.6573; 10.032 90; 110.448; 90	641.13	Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation Polym. Chem., 2017, 8, 1714
1545486	CIF HKL Paper	C16 H12 N2 O3	P -1	7.7193; 8.6977; 9.5907 90.457; 95.07; 90.627	641.34	Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E. 3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one IUCrData, 2017, 2, x170139
1546746	CIF	C12 H18 Cl O2 Sc	P 1 n 1	7.0301; 10.1171; 9.2007 90; 101.433; 90	641.41	Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes Chem. Sci., 2017
7120214	CIF	C4 H12 B2 Br4 S2	P 1 21/n 1	7.4726; 7.2585; 12.385 90; 107.281; 90	641.44	Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dewhurst, Rian David; Ewing, William; Hörl, Christian; Mies, Jan; Muessig, Jonas Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts Chem. Commun., 2017
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
7120848	CIF	C15 H17 N O3	P -1	6.7483; 9.9314; 11.0967 63.764; 79.148; 74.8	641.5	Mayol-Llinàs, Joan; Farnaby, William; Nelson, Adam Modular synthesis of thirty lead-like scaffolds suitable for CNS drug discovery Chemical Communications, 2017
7120617	CIF	C16 H12 O S	P 1 21 1	8.111; 7.5844; 10.765 90; 104.27; 90	641.8	Zhang, Youquan; Yu, aimin; jia, jiru; Ma, Shanshan; Li, Ke; Wei, Yin; Meng, Xiangtai NaH promoted [4+3] annulation of crotonate-derived sulfur ylides and thioaurones: synthesis of 2,5-dihydrobenzo[4,5] thieno[3,2-b]oxepine Chem. Commun., 2017
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
7229598	CIF	C6 H7 N3 O2	P 21 21 21	3.6679; 10.1769; 17.203 90; 90; 90	642.2	Shishkina, Svitlana V.; Konovalova, Irina S.; Shishkin, Oleg. V.; Boyko, Alexander N. Influence of substituents on the acceptor properties of the amino groups in the diaminobenzene analogues CrystEngComm, 2017
1547084	CIF	C13 H13 F3 N2 O2	P -1	7.8773; 7.9192; 10.3429 87.686; 89.889; 85.028	642.26	Shi, Pengfei; Wang, Lili; Guo, Shan; Chen, Kehao; Wang, Jie; Zhu, Jin A C-H Activation-Based Strategy for N-Amino Azaheterocycle Synthesis. Organic letters, 2017, 19, 4359-4362
1546641	CIF HKL Paper	C16 H11 N O3	P -1	7.307; 8.7763; 11.2927 91.059; 107.867; 109.814	642.36	Filali Baba, Yassir; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate IUCrData, 2017, 2, x171072
4002761	CIF	Fe2 Na2 O7 Si2	P 1 21/n 1	9.07499; 12.91082; 5.48835 90; 91.9854; 90	642.66	Panigrahi, Abhishek; Nishimura, Shin-ichi; Shimada, Tatau; Watanabe, Eriko; Zhao, Wenwen; Oyama, Gosuke; Yamada, Atsuo Sodium Iron(II) Pyrosilicate Na2Fe2Si2O7: A Potential Cathode Material in the Na2O-FeO-SiO2 System Chemistry of Materials, 2017
7042069	CIF	C26 H26 Cd N4 O8	P -1	6.4254; 7.0163; 15.329 101.256; 90.381; 108.064	642.7	Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi Solvothermal self-assembly of Cd(2+) coordination polymers with supramolecular networks involving N-donor ligands and aromatic dicarboxylates: synthesis, crystal structure and photoluminescence studies. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3623-3630
7227971	CIF	C8 H12 O8 P2 Zn2	P n m a	22.259; 5.8452; 4.9451 90; 90; 90	643.4	Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour CrystEngComm, 2017
1545436	CIF	C13 H13 F2 N O5	P -1	5.5051; 9.661; 12.4968 81.35; 80.175; 82.598	643.8	Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins. Organic letters, 2017, 19, 1008-1011
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
7056416	CIF	C3 H6 N10 O11	P 1 21 1	7.5643; 8.0022; 10.6515 90; 91.239; 90	644.6	Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide New J. Chem., 2017
7229241	CIF	C22 H20 Co2 N12 O11 S	P m m 2	6.9023; 11.6321; 8.0322 90; 90; 90	644.89	Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties RSC Adv., 2017, 7, 45641