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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1010202	CIF	Ag Au Cl6 Cs2	I 4/m m m	7.38; 7.38; 11.01 90; 90; 90	599.7	Elliott, N; Pauling, L The Crystal Structure of Cesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~ Journal of the American Chemical Society, 1938, 60, 1846-1851
4119062	CIF	Ag Ba0.67 K0.33 Te2	I 4/m m m	4.624; 4.624; 23.326 90; 90; 90	498.742	Kannewurf, C.R.; Kanatzidis, M.G.; Guo, H.-Y.; Zhang, X.; Hogan, T.; Li, J.; Lee, S.; Foran, B. Distorted square nets of tellurium in the novel quaternary polytelluride K0.33 Ba0.67 Ag Te2 Journal of the American Chemical Society, 1995, 117, 10513-10520
4131244	CIF	Ag Bi Br6 Cs2	F m -3 m	11.2322; 11.2322; 11.2322 90; 90; 90	1417.08	Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption. Journal of the American Chemical Society, 2017, 139, 5015-5018
6000558	CIF	Ag F3	P 61 2 2	5.0782; 5.0782; 15.4524 90; 90; 120	345.1	Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198
4119063	CIF	Ag F3 Zn	P m -3 m	3.89; 3.89; 3.89 90; 90; 90	58.864	Roy, R.; de Vries, R.C. Fluoride Models for Oxide Systems of Dielectric Interest. The Systems K F - Mg F2 and Ag F - Zn F2 Journal of the American Chemical Society, 1953, 75, 2479-2484
4120041	CIF	Ag F4 Li O4 V2	P 1 2/c 1	9.9951; 5.6771; 4.868 90; 90.596; 90	276.211	Martin D. Donakowski; Arno Görne; John T. Vaughey; Kenneth R. Poeppelmeier AgNa(VO2F2)2: A Trioxovanadium Fluoride with Unconventional Electrochemical Properties Journal of the American Chemical Society, 2013, 135, 9898-9906
4120040	CIF	Ag F4 Na O4 V2	P 1 2/c 1	10.3826; 5.8079; 4.9429 90; 90.072; 90	298.06	Martin D. Donakowski; Arno Görne; John T. Vaughey; Kenneth R. Poeppelmeier AgNa(VO2F2)2: A Trioxovanadium Fluoride with Unconventional Electrochemical Properties Journal of the American Chemical Society, 2013, 135, 9898-9906
4111757	CIF	Ag Fe3 H6 O14 S2	R -3 m :H	7.33; 7.33; 16.497 90; 90; 120	767.62	Bart M. Bartlett; Daniel G. Nocera Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods Journal of the American Chemical Society, 2005, 127, 8985-8993
4111782	CIF	Ag Sb Te2	P m -3 m	6.0667; 6.0667; 6.0667 90; 90; 90	223.28	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111783	CIF	Ag Sb Te2	P 4/m m m	4.2898; 4.2898; 6.0667 90; 90; 90	111.64	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111784	CIF	Ag Sb Te2	R -3 m :H	4.2898; 4.2898; 21.016 90; 90; 120	334.93	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111792	CIF	Ag0.13 Pb1.75 Sb0.13 Te2	P 4/m m m	4.5538; 4.5538; 6.4404 90; 90; 90	133.56	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111790	CIF	Ag0.19 Pb1.62 Sb0.19 Te2	P 4/m m m	4.5453; 4.5453; 6.428 90; 90; 90	132.8	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4119061	CIF	Ag0.24 Al6 Br1.88 Na7.76 O24 Si6	P -4 3 n	8.9289; 8.9289; 8.9289 90; 90; 90	711.859	Ozin, G.A.; MacDonald, P.M.; Stucky, G.D.; Stein, A.; Jelinek, R. Silver, sodium halosodalites: class A sodalites Journal of the American Chemical Society, 1992, 114, 5171-5186
4111788	CIF	Ag0.25 Pb1.5 Sb0.25 Te2	P 4/m m m	4.5377; 4.5377; 6.4173 90; 90; 90	132.14	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111791	CIF	Ag0.25 Pb3.5 Sb0.25 Te4	P m -3 m	6.4404; 6.4404; 6.4404 90; 90; 90	267.14	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111789	CIF	Ag0.38 Pb3.23 Sb0.38 Te4	P m -3 m	6.428; 6.428; 6.428 90; 90; 90	265.6	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111787	CIF	Ag0.5 Pb3 Sb0.5 Te4	P m -3 m	6.4173; 6.4173; 6.4173 90; 90; 90	264.28	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4111786	CIF	Ag0.67 Pb0.67 Sb0.67 Te2	P 4/m m m	4.3963; 4.3963; 6.2173 90; 90; 90	120.16	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4120251	CIF	Ag0.86 Ca0.87 Pr0.14 Sb	P 63 m c	4.7057; 4.7057; 7.788 90; 90; 120	149.35	Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance Journal of the American Chemical Society, 2013, 135, 11840-11848
4120252	CIF	Ag0.87 Ca0.86 Nd0.14 Sb	P 63 m c	4.6931; 4.6931; 7.753 90; 90; 120	147.88	Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance Journal of the American Chemical Society, 2013, 135, 11840-11848
4120253	CIF	Ag0.88 Ca0.83 Sb Sm0.17	P 63 m c	4.7008; 4.7008; 7.759 90; 90; 120	148.48	Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance Journal of the American Chemical Society, 2013, 135, 11840-11848
4120250	CIF	Ag0.9 Ca0.84 Ce0.16 Sb	P 63 m c	4.7023; 4.7023; 7.7951 90; 90; 120	149.27	Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance Journal of the American Chemical Society, 2013, 135, 11840-11848
4120249	CIF	Ag0.92 Ca0.89 La0.11 Sb	P 63 m c	4.7029; 4.7029; 7.7921 90; 90; 120	149.25	Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance Journal of the American Chemical Society, 2013, 135, 11840-11848
4120248	CIF	Ag0.93 Ca0.91 La0.09 Sb	C m c 21	4.7028; 8.146; 7.7921 90; 90; 90	298.51	Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance Journal of the American Chemical Society, 2013, 135, 11840-11848
4111785	CIF	Ag1.33 Pb1.33 Sb1.33 Te4	P m -3 m	6.2173; 6.2173; 6.2173 90; 90; 90	240.33	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions Journal of the American Chemical Society, 2005, 127, 9177-9190
4117413	CIF	Ag1.5 F3 Mo Na1.5 O3	R -3 :H	5.754547; 5.754547; 28.503915 90; 90; 120	817.443	Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure Journal of the American Chemical Society, 2012, 134, 2621-2625
4117414	CIF	Ag1.5 F3 Na1.5 O3 W	R -3 :H	5.741466; 5.741466; 28.63794 90; 90; 120	817.557	Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure Journal of the American Chemical Society, 2012, 134, 2621-2625
4119064	CIF	Ag11.48 Al12 O48 Si12	P m -3 m	12.248; 12.248; 12.248 90; 90; 90	1837.36	Kim, Y.; Seff, K. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society, 1978, 100, 6989-6997
4119065	CIF	Ag11.888 Al12 O48 Si12	P m -3 m	12.333; 12.333; 12.333 90; 90; 90	1875.89	Seff, K.; Kim, Y. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society, 1978, 100, 6989-6997
4124443	CIF	Ag12 Al12 Cl14.248 H2.25 O48 Si12	P m -3 m	12.244; 12.244; 12.244 90; 90; 90	1835.57	Kim, Y.; Seff, K. Oxidation of hexasilver to silver chloride by dichlorine. Crystal structure of H2.25 Ag12 Cl2.25 Si12 Al12 O48 * (Cl2)6 a chlorine sorption complex of partially dehydrated fully Ag+ -exchanged ... Journal of the American Chemical Society, 1978, 100, 3801-3805
4119066	CIF	Ag12 Al12 O48 Si12	P m -3 m	12.295; 12.295; 12.295 90; 90; 90	1858.6	Kim, Y.; Seff, K. Structure of a very small piece of silver metal. The octahedral Ag6 molecule. Two crystal structures of partially decomposed vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society, 1977, 99, 7055-7057
4108613	CIF	Ag2 Ba2 O2 Se2 Zn0.953	C m c a	19.8377; 6.0562; 6.057 90; 90; 90	727.69	Sebastian J. C. Herkelrath; Ian Saratovsky; Joke Hadermann; Simon J. Clarke Fragmentation of an Infinite ZnO2 Square Plane into Discrete [ZnO2]2- Linear Units in the Oxyselenide Ba2ZnO2Ag2Se2 Journal of the American Chemical Society, 2008, 130, 14426-14427
4108614	CIF	Ag2 Ba2 O2 Se2 Zn0.955	I 4/m m m	4.2849; 4.2849; 19.8793 90; 90; 90	364.99	Sebastian J. C. Herkelrath; Ian Saratovsky; Joke Hadermann; Simon J. Clarke Fragmentation of an Infinite ZnO2 Square Plane into Discrete [ZnO2]2- Linear Units in the Oxyselenide Ba2ZnO2Ag2Se2 Journal of the American Chemical Society, 2008, 130, 14426-14427
4119067	CIF	Ag2 Ca1.5 Nb3 O10	I 4/m m m	3.8994; 3.8994; 29.015 90; 90; 90	441.182	Woodward, P.M.; Bhuvanesh, N.S.P. Thermally induced A' - A site exchange in novel layered perovskitesAg2 (Ca1.5 M3 O10) (M = Nb, Ta) Journal of the American Chemical Society, 2002, 124, 14294-14295
4119068	CIF	Ag2 Cs2 Te4 Zr	C 2 2 2	6.508; 15.164; 6.518 90; 90; 90	643.244	Ibers, J.A.; Pell, M.A. Cs2 Ag2 Zr Te4 : a new layered telluride containing tetrahedrally coordinated zirconium Journal of the American Chemical Society, 1995, 117, 6284-6286
1010623	CIF	Ag2 Mo O4	F d -3 m :1	9.26; 9.26; 9.26 90; 90; 90	794	Wyckoff, R W G The crystal structure of silver molybdate Journal of the American Chemical Society, 1922, 44, 1994-1997
4124775	CIF	Ag2 Mo O4	F d -3 m :1	9.26; 9.26; 9.26 90; 90; 90	794.023	Donohue, J.; Shand, W. The determination of the interatomic distances in silver molybdate, Ag2 Mo O4 Journal of the American Chemical Society, 1947, 69, 222-223
4112388	CIF	Ag3 Li17 Sn6	P 3 1 m	8.063; 8.063; 8.51 90; 90; 120	479.1	Corina Lupu; Craig Downie; Arnold M. Guloy; Thomas A. Albright; Jiang-Gao Mao Li17Ag3Sn6: A Polar Intermetallic π-System with Carbonate-like [AgSn3]11- Anions and Trefoil Aromatic [Ag2Sn3]6- Layers Journal of the American Chemical Society, 2004, 126, 4386-4397
4111653	CIF	Ag4 F2 O6 V2	P 1 21/n 1	5.5937; 10.5483; 12.4593 90; 90.314; 90	735.14	Erin M. Sorensen; Heather K. Izumi; John T. Vaughey; Charlotte L. Stern; Kenneth R. Poeppelmeier Ag4V2O6F2: An Electrochemically Active and High Silver Density Phase Journal of the American Chemical Society, 2005, 127, 6347-6352
4115680	CIF	Ag4 I4 O24 U4	P 1 21/n 1	15.04; 8.051; 18.332 90; 100.738; 90	2180.9	Amanda C. Bean; Charles F. Campana; Ohyun Kwon; Thomas E. Albrecht-Schmitt A New Oxoanion: [IO4]3- Containing I(V) with a Stereochemically Active Lone-Pair in the Silver Uranyl Iodate Tetraoxoiodate(V), Ag4(UO2)4(IO3)2(IO4)2O2 Journal of the American Chemical Society, 2001, 123, 8806-8810
4124777	CIF	Ag66.31 Al96.9 H27 O384 Si96	F m -3 c	24.548; 24.548; 24.548 90; 90; 90	14792.7	Gellens, L.R.; Pluth, J.J.; Smith, J.V. Crystal structure of vacuum-dehydrated silver hydrogen zeolite A Journal of the American Chemical Society, 1983, 105, 51-55
4124444	CIF	Ag7.48 Al12 O48 Si12	P m -3 m	12.279; 12.279; 12.279 90; 90; 90	1851.35	Kim, Y.; Seff, K. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society, 1978, 100, 6989-6997
4124442	CIF	Ag8 Al12 H45 N27 O48 Si12	P m -3 m	12.295; 12.295; 12.295 90; 90; 90	1858.6	Kim, Y.; Gilje, J.W.; Seff, K. Synthesis and structures of two new hydrides of nitrogen, triazane (N3 H5) and cyclotriazane (N3 H3). Crystallographic ... analyses of vacuum-dehydrated patially decomposed fully Ag+ -exchanged Zeolite A ... Journal of the American Chemical Society, 1977, 99, 7057-7059
4119069	CIF	Ag9.26 Al12 O48 Si12	P m -3 m	12.148; 12.148; 12.148 90; 90; 90	1792.73	Kim, Y.; Seff, K. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society, 1978, 100, 6989-6997
4105867	CIF	Al B5 H38 Li2 N6	P -3 c 1	7.79779; 7.79779; 15.96933 90; 90; 120	840.931	Yanhui Guo; Hui Wu; Wei Zhou; Xuebin Yu Dehydrogenation Tuning of Ammine Borohydrides Using Double-Metal Cations Journal of the American Chemical Society, 2011, 133, 4690-4693
4120551	CIF	Al Ba N5 O3 Si4	A 21 a m	9.48461; 13.47194; 5.773234 90; 90; 90	737.681	Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+). Journal of the American Chemical Society, 2014, 136, 2363-2373
4135474	CIF	Al Bi11 Ca13.9 La0.1	I 41/a c d :2	17.029; 17.029; 22.689 90; 90; 90	6579.5	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4103367	CIF	Al Bi2 Br Cl4 Te2	C 1 2/c 1	21.2247; 8.4778; 13.2264 90; 99.28; 90	2348.8	Kanishka Biswas; Qichun Zhang; In Chung; Jung-Hwan Song; John Androulakis; Arthur J. Freeman; Mercouri G. Kanatzidis Synthesis in Ionic Liquids: [Bi2Te2Br](AlCl4), a Direct Gap Semiconductor with a Cationic Framework Journal of the American Chemical Society, 2010, 132, 14760-14762
4103366	CIF	Al Br Cl4 Sb2 Te2	C 1 2/c 1	21.216; 8.2816; 13.126 90; 98.71; 90	2279.7	Kanishka Biswas; Qichun Zhang; In Chung; Jung-Hwan Song; John Androulakis; Arthur J. Freeman; Mercouri G. Kanatzidis Synthesis in Ionic Liquids: [Bi2Te2Br](AlCl4), a Direct Gap Semiconductor with a Cationic Framework Journal of the American Chemical Society, 2010, 132, 14760-14762
4124695	CIF HKL	Al Ca4 Mg1.5 O14 Si3.5	P -4 21 m	7.79644; 7.79644; 5.0119 90; 90; 90	304.65	Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497
4124466	CIF	Al Cs0.69 I14 Zr6	C m c a	15.907; 14.284; 12.973 90; 90; 90	2947.67	Smith, J.D.; Corbett, J.D. Four zirconium iodide cluster phases centered by boron, aluminum, or silicon Journal of the American Chemical Society, 1986, 108, 1927-1934
4124633	CIF	Al F1.5 H2.25 O1.875	F d -3 m :1	9.829; 9.829; 9.829 90; 90; 90	949.572	Cowley, J.M.; Scott, R.T. Basic Fluorides of Aluminum Journal of the American Chemical Society, 1948, 70, 105-109
1010086	CIF	Al F6 H12 N3	F -4 3 m	8.4; 8.4; 8.4 90; 90; 90	592.7	Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society, 1924, 46, 2738-2751
4116390	CIF	Al K5 O57 W12	P 62 2 2	19.072; 19.072; 12.5658 90; 90; 120	3958.34	Ira A. Weinstock; Jennifer J. Cowan; Elena M. G. Barbuzzi; Huadong Zeng; Craig L. Hill Equilibria between α and β Isomers of Keggin Heteropolytungstates Journal of the American Chemical Society, 1999, 121, 4608-4617
4125060	CIF	Al Nd9.906 O26 Si5	P 63/m	9.553; 9.553; 7.0496 90; 90; 120	557.153	An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483
4124784	CIF	Al O	F m -3 m	5.67; 5.67; 5.67 90; 90; 90	182.284	Hoch, M.; Johnston, H.L. Formation, Stability and Crystal Structure of the Solid Aluminium Suboxides. Al2 O and Al O Journal of the American Chemical Society, 1954, 76, 2560-2561
4123961	CIF	Al O4 P	P -1	8.784; 8.784; 12.85 110.43; 98.5; 104.92	866.319	Loiseau, T.; Mellot-Draznieks, C.; Taulelle, F.; Girard, S.; Sassoye, C.; Ferey, G.; Huguenard, C.; Guillou, N. Chemistry - structure - simulation or chemistry - simulation - structure sequences? the case of MIL-34, a new porous aluminophosphate Journal of the American Chemical Society, 2001, 123, 9642-9651
4118799	CIF HKL	Al0.1 Na0.09 O Si0.4	I -4 3 m	14.41336; 14.41336; 14.41336 90; 90; 90	2994.3	Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases Journal of the American Chemical Society, 2012, 134, 17628-17642
4125061	CIF	Al0.5 Nd9.652 O26 Si5.5	P 63/m	9.5515; 9.5515; 7.042 90; 90; 120	556.378	An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483
4135471	CIF	Al0.85 Bi11 Ca13.96 Lu0.18	I 41/a c d :2	17.0165; 17.0165; 22.73 90; 90; 90	6581.7	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135472	CIF	Al0.86 Bi11 Ca13.95 Lu0.19	I 41/a c d :2	17.026; 17.026; 22.735 90; 90; 90	6590.5	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135470	CIF	Al0.88 Bi11 Ca13.95 Lu0.17	I 41/a c d :2	17.0115; 17.0115; 22.696 90; 90; 90	6568	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135469	CIF	Al0.89 Bi11 Ca13.95 Lu0.16	I 41/a c d :2	17.0092; 17.0092; 22.7001 90; 90; 90	6567.4	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135468	CIF	Al0.9 Bi11 Ca13.94 Lu0.16	I 41/a c d :2	16.9893; 16.9893; 22.6602 90; 90; 90	6540.6	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4135473	CIF	Al0.93 Bi11 Ca13.91 Tm0.17	I 41/a c d :2	17.019; 17.019; 22.714 90; 90; 90	6579	Baranets, Sviatoslav; Bobev, Svilen Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11 Journal of the American Chemical Society, 2020
4125057	CIF	Al1.5 Nd9.959 O26 Si4.5	P 63/m	9.5611; 9.5611; 7.0607 90; 90; 120	558.977	An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483
4120618	CIF	Al1.67 Au7.33 Sr2	C 1 2/c 1	14.956; 8.5641; 8.6718 90; 123.86; 90	922.3	Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J. Turning Gold into "Diamond": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System. Journal of the American Chemical Society, 2014, 136, 3108
4120617	CIF	Al1.95 Au5.05 Sr	P n m a	8.9424; 7.232; 9.9182 90; 90; 90	641.42	Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J. Turning Gold into "Diamond": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System. Journal of the American Chemical Society, 2014, 136, 3108
4124702	CIF	Al12 Ca3.4 D5.2 O96 Si36	I -4 3 m	13.9645; 13.9645; 13.9645 90; 90; 90	2723.18	Corbin, D.R.; Abrams, L.; Stucky, G.D.; Jones, G.A.; Eddy, M.M.; Harrison, W.T.A.; Cox, D.E. Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO Journal of the American Chemical Society, 1990, 112, 4821-4830
4124701	CIF	Al12 Ca3.948 O96 Si36	I -4 3 m	14.11; 14.11; 14.11 90; 90; 90	2809.19	Corbin, D.R.; Abrams, L.; Stucky, G.D.; Eddy, M.M.; Harrison, W.T.A.; Jones, G.A.; Cox, D.E. Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO Journal of the American Chemical Society, 1990, 112, 4821-4830
4124433	CIF	Al12 Ca6 O48 Si12	P m -3 m	12.278; 12.278; 12.278 90; 90; 90	1850.9	Firor, R.L.; Seff, K. Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A Journal of the American Chemical Society, 1978, 100, 3091-3096
4124797	CIF	Al12 Cd6 H6 O51 Si12	P m -3 m	12.291; 12.291; 12.291 90; 90; 90	1856.79	McCusker, L.B.; Seff, K. Cadmium(I) and dicadmium(I). Crystal structures of cadmium(II) exchanged zeolite A evacuated at 500 C and of its cadmium sorption complex Journal of the American Chemical Society, 1979, 101, 5235-5239
4124793	CIF	Al12 Cd8 H6 O51 Si12	P m -3 m	12.242; 12.242; 12.242 90; 90; 90	1834.67	McCusker, L.B.; Seff, K. Cadmium(I) and dicadmium(I). Crystal structures of cadmium(II) exchanged zeolite A evacuated at 500 C and of its cadmium sorption complex Journal of the American Chemical Society, 1979, 101, 5235-5239
4124448	CIF	Al12 Cd9.5 Cl4 H11 O55 Si12	P m -3 m	12.219; 12.219; 12.219 90; 90; 90	1824.34	McCusker, L.B.; Seff, K. Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A Journal of the American Chemical Society, 1978, 100, 5052-5057
4124447	CIF	Al12 Cd9.5 Cl4 H3 O51 Si12	P m -3 m	12.269; 12.269; 12.269 90; 90; 90	1846.83	McCusker, L.B.; Seff, K. Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A Journal of the American Chemical Society, 1978, 100, 5052-5057
4124467	CIF	Al12 Cl8 Co4 Na4 O48 Si12	P m -3 m	12.099; 12.099; 12.099 90; 90; 90	1771.12	Subramanian, V.; Seff, K.; Ottersen, T. A molecular chlorine complex of cobalt(II). The crystal structure of a dichlorine sorption complex of dehydrated cobalt(II)- exchanged sodium zeolite A, Co4 Na4 - A (Cl2)4 Journal of the American Chemical Society, 1978, 100, 2911-2913
4124432	CIF	Al12 Cl8 Eu5.48 Na O48 Si12	P m -3 m	12.251; 12.251; 12.251 90; 90; 90	1838.72	Firor, R.L.; Seff, K. Five-coordinate europium(IV) and zero-coordinate europium(II). Crystal structure of dehydrated near-fully europium(II)-exchanged zeolite A, Eu5.5 Na-A partially oxidized by chlorine Journal of the American Chemical Society, 1978, 100, 978-980
4124439	CIF	Al12 Cs12.48 O48 Si12	P m -3 m	12.279; 12.279; 12.279 90; 90; 90	1851.35	Heo, N.-H.; Seff, K. Reaction of dehydrated Na12-A with cesium. Synthesis and crystal structure of fully dehydrated, fully Cs+ -exchanged Zeolite A Journal of the American Chemical Society, 1987, 109, 7986-7992
4124427	CIF	Al12 Cs7 K5 O48 Si12	P m -3 m	12.266; 12.266; 12.266 90; 90; 90	1845.48	Firor, R.L.; Seff, K. Zero-coordinate K+: Crystal structure of dehydrated cesium and potassium exchanged zeolite A. Cs7 K5 - A Journal of the American Chemical Society, 1977, 99, 6249-6253
4124438	CIF	Al12 Cs9.08 Na3.52 O48 Si12	P m -3 m	12.252; 12.252; 12.252 90; 90; 90	1839.17	Heo, N.-H.; Seff, K. Reaction of dehydrated Na12-A with cesium. Synthesis and crystal structure of fully dehydrated, fully Cs+ -exchanged Zeolite A Journal of the American Chemical Society, 1987, 109, 7986-7992
4124431	CIF	Al12 Eu4.504 Na0.9996 O50.752 Si12	P m -3 m	12.238; 12.238; 12.238 90; 90; 90	1832.87	Firor, R.L.; Seff, K. Europium(IV), a new oxidation state for europium. crystal structure of dehydrated europium(II)-exchanged sodium zeolite A, Eu4.5 Na3-A, partially oxidized by oxygen Journal of the American Chemical Society, 1978, 100, 976-978
4124428	CIF	Al12 Eu5.75 Na0.5 O48 Si12	P m -3 m	12.296; 12.296; 12.296 90; 90; 90	1859.05	Firor, R.L.; Seff, K. Near-zero-coordinate, three-coordinate, and four-coordinate europium(II). Bonding effects involving europium(II) valence orbitals. Crystal structure of dehydrated near-fully europium(II)- exchanged zeolite A Journal of the American Chemical Society, 1977, 99, 7059-7061
4124426	CIF	Al12 H14 Na O55 Rb11 Si12	P m -3 m	12.321; 12.321; 12.321 90; 90; 90	1870.42	Firor, R.L.; Seff, K. Zero-coordinate Rb+. The dehydrated and hydrated crystal structures of eleven-twelfths rubidium-exchanged zeolite A Journal of the American Chemical Society, 1977, 99, 1112-1117
4124429	CIF	Al12 H19 O58 Si12 Tl13	P m -3 m	12.38; 12.38; 12.38 90; 90; 90	1897.41	Firor, R.L.; Seff, K. Near-zero-coordinate thallium(I). The crystal structures of hydrated and dehydrated zeolite A fully exchanged with Tl O H Journal of the American Chemical Society, 1977, 99, 4039-4044
4124675	CIF	Al12 Li8 Na4 O48 Si12	P m -3 m	12.04; 12.04; 12.04 90; 90; 90	1745.34	Reed, T.B.; Breck, D.W. Crystalline zeolites. II. Crystal structure of synthetic zeolite, type A Journal of the American Chemical Society, 1956, 78, 5972-5977
4124700	CIF	Al12 N4.104 O96 Si36	I -4 3 m	14.41; 14.41; 14.41 90; 90; 90	2992.21	Corbin, D.R.; Cox, D.E.; Abrams, L.; Jones, G.A.; Harrison, W.T.A.; Eddy, M.M.; Stucky, G.D. Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO Journal of the American Chemical Society, 1990, 112, 4821-4830
4124425	CIF	Al12 Na O48 Rb11 Si12	P m -3 m	12.261; 12.261; 12.261 90; 90; 90	1843.22	Firor, R.L.; Seff, K. Zero-coordinate Rb+. The dehydrated and hydrated crystal structures of eleven-twelfths rubidium-exchanged zeolite A Journal of the American Chemical Society, 1977, 99, 1112-1117
4124673	CIF	Al12 Na12 O48 Si12	P m -3 m	12.32; 12.32; 12.32 90; 90; 90	1869.96	Reed, T.B.; Breck, D.W. Crystalline zeolites. II. Crystal structure of synthetic zeolite, type A Journal of the American Chemical Society, 1956, 78, 5972-5977
4124674	CIF	Al12 Na4 O48 Si12 Tl8	P m -3 m	12.33; 12.33; 12.33 90; 90; 90	1874.52	Reed, T.B.; Breck, D.W. Crystalline zeolites. II. Crystal structure of synthetic zeolite, type A Journal of the American Chemical Society, 1956, 78, 5972-5977
4124430	CIF	Al12 O48 Si12 Tl12	P m -3 m	12.18; 12.18; 12.18 90; 90; 90	1806.93	Firor, R.L.; Seff, K. Near-zero-coordinate thallium(I). The crystal structures of hydrated and dehydrated zeolite A fully exchanged with Tl O H Journal of the American Chemical Society, 1977, 99, 4039-4044
4123932	CIF	Al15 H132.4 Mo12 O118.7	C 1 2/c 1	28.24919; 15.7094; 24.424 90; 102.337; 90	10588.5	Son, J.-H.; Kwon, Y.-U.; Choi, H. Porous crystal formation from polyoxometalate building blocks: single-crystal structure of (Al O4 Al12 (O H)12 (H2 O)24) (Al (O H)6 No6 O18)2 (O H) . 29.5(H2 O) Journal of the American Chemical Society, 2000, 122, 7432-7433
4124503	CIF	Al16 H32 Na16 O96 Si24	F d d 2	18.226; 18.583; 6.579 90; 90; 90	2228.27	Lee, Y.; Vogt, T.; Parise, J.B.; Hriljac, J.A.; Artioli, G. Pressure-induced volume expansion of zeolites in the natrolite family Journal of the American Chemical Society, 2002, 124, 5466-5475
4124504	CIF	Al16 H64 Na16 O112 Si24	F d d 2	18.39; 18.829; 6.547 90; 90; 90	2267	Lee, Y.; Vogt, T.; Hriljac, J.A.; Parise, J.B.; Artioli, G. Pressure-induced volume expansion of zeolites in the natrolite family Journal of the American Chemical Society, 2002, 124, 5466-5475
4124505	CIF	Al16 H64 Na16 O112 Si24	F d d 2	17.924; 18.325; 6.487 90; 90; 90	2130.7	Lee, Y.; Vogt, T.; Hriljac, J.A.; Parise, J.B.; Artioli, G. Pressure-induced volume expansion of zeolites in the natrolite family Journal of the American Chemical Society, 2002, 124, 5466-5475
4123227	CIF	Al18 O111 P18	P 63	18.9377; 18.9377; 8.0529 90; 90; 120	2501.1	Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure. Journal of the American Chemical Society, 2015, 137, 584-587
4123228	CIF	Al18 O111 P18	P 63	18.7342; 18.7342; 7.8979 90; 90; 120	2400.56	Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure. Journal of the American Chemical Society, 2015, 137, 584-587
4123229	CIF	Al18 O111 P18	P 63	18.822; 18.822; 7.9759 90; 90; 120	2447	Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure. Journal of the American Chemical Society, 2015, 137, 584-587
4123230	CIF	Al18 O111 P18	P 63	18.956; 18.956; 8.086 90; 90; 120	2516.3	Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure. Journal of the American Chemical Society, 2015, 137, 584-587
4123231	CIF	Al18 O111 P18	P 63	18.8821; 18.8821; 8.0281 90; 90; 120	2478.8	Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure. Journal of the American Chemical Society, 2015, 137, 584-587
4101096	CIF	Al19.2 Co12.8 O128 P32	C 1 2/c 1	10.2959; 14.3715; 28.599 90; 91.094; 90	4231	Morris, Russell Journal of the American Chemical Society, 2006
4120552	CIF	Al2 Ba N4 O4 Si3	A 21 a m	9.47791; 13.45426; 5.7694 90; 90; 90	735.704	Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+). Journal of the American Chemical Society, 2014, 136, 2363-2373
4124699	CIF HKL	Al2 Ca2 O7 Si	P -4 21 m	7.67231; 7.67231; 5.05923 90; 90; 90	297.81	Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497
9014359	CIF	Al2 Ca3 O6	P m -3 m	7.624; 7.624; 7.624 90; 90; 90	443.148	Steele, F. A.; Davey, W. P. The crystal structure of tricalcium aluminate Journal of the American Chemical Society, 1929, 51, 2283-2293
4124696	CIF HKL	Al2 Ca4 Mg O14 Si3	P -4 21 m	7.73707; 7.73707; 5.02948 90; 90; 90	301.08	Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497
4124783	CIF	Al2 O	F m -3 m	4.98; 4.98; 4.98 90; 90; 90	123.506	Hoch, M.; Johnston, H.L. Formation, Stability and Crystal Structure of the Solid Aluminium Suboxides. Al2 O and Al O Journal of the American Chemical Society, 1954, 76, 2560-2561
1010914	CIF	Al2 O3	R -3 c :R	5.12; 5.12; 5.12 55.28; 55.28; 55.28	84.5	Pauling, L; Hendricks, S B Crystal Structures of Hematite and Corundum Journal of the American Chemical Society, 1925, 47, 781-790
4124434	CIF	Al2 O8 Si2 Sr	P m -3 m	12.316; 12.316; 12.316 90; 90; 90	1868.14	Firor, R.L.; Seff, K. Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A Journal of the American Chemical Society, 1978, 100, 3091-3096
4120619	CIF	Al2.82 Au6.18 Sr2	R -3 c :H	8.4475; 8.4475; 21.735 90; 90; 120	1343.2	Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J. Turning Gold into "Diamond": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System. Journal of the American Chemical Society, 2014, 136, 3108
4123413	CIF	Al3 B3 F O10 Rb3	P 3 1 c	8.6819; 8.6819; 8.7423 90; 90; 120	570.67	Zhao, Sangen; Gong, Pifu; Luo, Siyang; Liu, Sijie; Li, Lina; Asghar, Muhammad Adnan; Khan, Tariq; Hong, Maochun; Lin, Zheshuai; Luo, Junhua Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal. Journal of the American Chemical Society, 2015, 137, 2207-2210
4104728	CIF	Al3 Br2 Cl12 S8 Sb7	P 21 21 21	11.989; 16.896; 17.378 90; 90; 90	3520.2	Qichun Zhang; In Chung; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis Chalcogenide Chemistry in Ionic Liquids: Nonlinear Optical Wave-Mixing Properties of the Double-Cubane Compound [Sb7S8Br2](AlCl4)3 Journal of the American Chemical Society, 2009, 131, 9896-9897
4124698	CIF HKL	Al3 Ca4 Mg0.5 O14 Si2.5	P -4 21 m	7.69191; 7.69191; 5.04831 90; 90; 90	298.69	Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497
4123931	CIF	Al3.53 Li2.05 Na1.61 O24 Si8.47	R -3 m :R	9.3385; 9.3385; 9.3385 93.482; 93.482; 93.482	809.686	Smith, L.J.; Eckert, H.; Cheetham, A.K. Site preferences in the mixed cation zeolite, Li, Na-chabazite: a combined solid-state NMR and neutron diffraction study Journal of the American Chemical Society, 2000, 122, 1700-1708
4123930	CIF	Al3.53 Li3.53 O24 Si8.47	R -3 m :R	9.3357; 9.3357; 9.3357 93.482; 93.482; 93.482	808.958	Smith, L.J.; Eckert, H.; Cheetham, A.K. Site preferences in the mixed cation zeolite, Li, Na-chabazite: a combined solid-state NMR and neutron diffraction study Journal of the American Chemical Society, 2000, 122, 1700-1708
4123967	CIF	Al52.996 Ru12 Si17.004 Sm8	P m -3 m	11.5101; 11.5101; 11.5101 90; 90; 90	1524.89	Sieve, B.; Henning, R.; Chen, X.Z.; Kanatzidis, M.G.; Kannewurf, C.R.; Brazis, P.; Schultz, A.J.; Cowen, J.A. Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE = Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction Journal of the American Chemical Society, 2001, 123, 7040-7047
4123968	CIF	Al53.44 Pr8 Ru12 Si16.56	P m -3 m	11.553; 11.553; 11.553 90; 90; 90	1542	Sieve, B.; Chen, X.Z.; Henning, R.; Brazis, P.; Kannewurf, C.R.; Cowen, J.A.; Schultz, A.J.; Kanatzidis, M.G. Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE= Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction Journal of the American Chemical Society, 2001, 123, 7040-7047
4112389	CIF	Al56 Ge3 Mn14	P -3	11.098; 11.098; 10.3496 90; 90; 120	1103.9	Li-Ming Wu; Dong-Kyun Seo Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented "Half-Broken" Mackay Icosahedra as Building Units Journal of the American Chemical Society, 2004, 126, 4398-4403
4112390	CIF	Al56.31 Ge2.69 Mn14	P -3	11.1018; 11.1018; 10.3501 90; 90; 120	1104.7	Li-Ming Wu; Dong-Kyun Seo Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented "Half-Broken" Mackay Icosahedra as Building Units Journal of the American Chemical Society, 2004, 126, 4398-4403
4112391	CIF	Al56.61 Ge2.39 Mn14	P -3	11.103; 11.103; 10.3537 90; 90; 120	1105.4	Li-Ming Wu; Dong-Kyun Seo Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented "Half-Broken" Mackay Icosahedra as Building Units Journal of the American Chemical Society, 2004, 126, 4398-4403
4124691	CIF	Al59 H48 Ni28.9 O408 Si133	F d -3 m :2	24.45; 24.45; 24.45 90; 90; 90	14616.3	Simpson, H.D.; Steinfink, H. An X-Ray diffraction study of the zeolite complex m-dichlorbenzene nickel faujasite Journal of the American Chemical Society, 1969, 91, 6225-6229
4120615	CIF	Al7.62 Au13.38 Sr3	P -6 2 m	8.6644; 8.6644; 7.1068 90; 90; 120	462.04	Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J. Turning Gold into "Diamond": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System. Journal of the American Chemical Society, 2014, 136, 3108
4127194	CIF	Al78 Fe23.78 Pt0.22	C 1 2/m 1	15.4634; 8.0701; 12.4586 90; 107.686; 90	1481.24	Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang Probing Single Pt Atoms in Complex Intermetallic Al<sub>13</sub>Fe<sub>4</sub>. Journal of the American Chemical Society, 2018
4120616	CIF	Al8.81 Au12.19 Sr3	P -6 2 m	8.633; 8.633; 7.0832 90; 90; 120	457.18	Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J. Turning Gold into "Diamond": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System. Journal of the American Chemical Society, 2014, 136, 3108
4123757	CIF	Al9 B18 Cl2 O65.24	P -3 c 1	14.58438; 14.58438; 12.22262 90; 90; 120	2251.49	Chen, Hong; Ju, Jing; Meng, Qingpeng; Su, Jie; Lin, Cong; Zhou, Zhengyang; Li, Guobao; Wang, Weilu; Gao, Wenliang; Zeng, Chunmei; Tang, Chiu; Lin, Jianhua; Yang, Tao; Sun, Junliang PKU-3: An HCl-Inclusive Aluminoborate for Strecker Reaction Solved by Combining RED and PXRD. Journal of the American Chemical Society, 2015, 137, 7047-7050
4124454	CIF	Al90.884 H2.25 O386 Si101.52 Sr45.44	F m -3 c	24.68; 24.68; 24.68 90; 90; 90	15032.6	Pluth, J.J.; Smith, J.V. Crystal structure of dehydrated Sr-exchanged Zeolite A. Absence of near-zero-coordinate Sr2+. Presence of Al complex Journal of the American Chemical Society, 1982, 104, 6977-6982
4118156	CIF	Am B9 O18	P 1 21/n 1	7.703; 16.688; 9.872 90; 90.073; 90	1269	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4124687	CIF	Am Cl O	P 4/n m m :1	4; 4; 6.78 90; 90; 90	108.48	Templeton, D.H.; Dauben, C.H. Crystal Structures of Americium Compounds Journal of the American Chemical Society, 1953, 75, 4560-4562
4127110	CIF	Am Cr2 Cs O8	P -1	5.8341; 7.2548; 9.786 73.026; 88.581; 81.081	391.27	Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis. Journal of the American Chemical Society, 2018
4127111	CIF	Am Cr2 Cs O8	P 1 2/c 1	9.1759; 5.5211; 7.7323 90; 98.691; 90	387.23	Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis. Journal of the American Chemical Society, 2018
4124620	CIF	Am F2 K O2	R -3 m :R	6.78; 6.78; 6.78 36.25; 36.25; 36.25	97.511	Asprey, L.B.; Zachariasen, W.H.; Ellinger, F.H. Preparation, identification and crystal structure of a pentavalent americium compound, K Am O2 F2 Journal of the American Chemical Society, 1954, 76, 5235-5237
4124688	CIF	Am2 O3	I a -3	11.03; 11.03; 11.03 90; 90; 90	1341.92	Templeton, D.H.; Dauben, C.H. Crystal Structures of Americium Compounds Journal of the American Chemical Society, 1953, 75, 4560-4562
4102049	CIF	As Br F12 Kr2 O	P 1 21/c 1	5.7166; 13.6438; 15.1053 90; 111.446; 90	1096.6	David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6].2KrF2 Journal of the American Chemical Society, 2010, 132, 3533-3542
4116386	CIF	As Cl3 F6	P 1 21/n 1	7.045; 11.001; 9.299 90; 94.42; 90	718.5	Thomas Drews; Wolfram Koch; Konrad Seppelt The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11- Journal of the American Chemical Society, 1999, 121, 4379-4384
4101695	CIF	As Cs3 S11 Ta2	P 1 21/n 1	9.5967; 13.5926; 14.716 90; 98.876; 90	1896.6	Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G. Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb). Journal of the American Chemical Society, 2009, 131, 75-77
4104434	CIF	As F10 H2 N S	P -1	5.4447; 6.6457; 10.3063 89.484; 87.479; 74.955	359.79	Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen Solid-State and Solution Rearrangements of F3S\τbNXeF+ Leading to the F4S=NXe+ Cation; Syntheses, HF Solvolyses, and Structural Characterizations of [F4S=NXe][AsF6] and [F4S=NH2][AsF6] Journal of the American Chemical Society, 2009, 131, 7272-7286
4105033	CIF	As F10 H3 O Xe2	I 4/m c m	8.715; 8.715; 12.989 90; 90; 90	986.5	Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+ Journal of the American Chemical Society, 2009, 131, 13474-13489
4104433	CIF	As F10 N S Xe	C 1 2/c 1	25.9305; 5.0875; 14.8171 90; 119.549; 90	1700.45	Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen Solid-State and Solution Rearrangements of F3S\τbNXeF+ Leading to the F4S=NXe+ Cation; Syntheses, HF Solvolyses, and Structural Characterizations of [F4S=NXe][AsF6] and [F4S=NH2][AsF6] Journal of the American Chemical Society, 2009, 131, 7272-7286
4105031	CIF	As F9 O Xe3	P 1 c 1	6.7107; 9.115; 8.674 90; 96.851; 90	526.8	Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+ Journal of the American Chemical Society, 2009, 131, 13474-13489
4107570	CIF	As Fe La O	P 4/n m m :2	4.03533; 4.03533; 8.7409 90; 90; 90	142.336	Yoichi Kamihara; Takumi Watanabe; Masahiro Hirano; Hideo Hosono Iron-Based Layered Superconductor La[O1-xFx]FeAs (x = 0.05-0.12) with Tc = 26 K Journal of the American Chemical Society, 2008, 130, 3296-3297
4123962	CIF	As H4 N O4 Zn	P 1 21 1	8.959; 5.6327; 9.13 90; 90.159; 90	460.729	Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui Arsenate zeolite analogues with 11 topological types Journal of the American Chemical Society, 2001, 123, 8608-8609
4101693	CIF	As K3 S11 Ta2	C 1 c 1	14.2571; 12.4154; 9.4505 90; 100.12; 90	1646.78	Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G. Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb). Journal of the American Chemical Society, 2009, 131, 75-77
4102046	CIF	As Li Se2	C 1 c 1	12.2872; 5.5419; 5.5533 90; 113.117; 90	347.79	Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study Journal of the American Chemical Society, 2010, 132, 3484-3495
4102048	CIF	As Li Se2	P 1	5.55073; 5.58029; 5.57706 92.72; 90.8322; 91.516	172.471	Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study Journal of the American Chemical Society, 2010, 132, 3484-3495
4102047	CIF	As Na Se2	P 1 c 1	11.682; 5.9021; 11.8231 90; 90.446; 90	815.2	Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study Journal of the American Chemical Society, 2010, 132, 3484-3495
4101694	CIF	As Rb3 S11 Ta2	C 1 c 1	14.4397; 12.8013; 9.5687 90; 99.289; 90	1745.55	Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G. Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb). Journal of the American Chemical Society, 2009, 131, 75-77
4102045	CIF	As0.5 Li0.5 Se	F m -3 m	5.557; 5.557; 5.557 90; 90; 90	171.6	Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study Journal of the American Chemical Society, 2010, 132, 3484-3495
4112088	CIF	As2 B H K2 O8	P 41 21 2	7.3568; 7.3568; 15.4671 90; 90; 90	837.12	Seth B. Wiggin; Mark T. Weller Boroarsenates: A Framework Motif and Family Templated on Cations and Anions Journal of the American Chemical Society, 2005, 127, 17172-17173
4123005	CIF	As2 Ba Fe2	I 4/m m m	3.961; 3.961; 13.02 90; 90; 90	204.3	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4123009	CIF	As2 Ba Fe2	F m m m	5.6139; 5.5746; 12.9594 90; 90; 90	405.568	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4123004	CIF	As2 Ba0.32 Fe2 K0.68	I 4/m m m	3.88324; 3.88324; 13.53814 90; 90; 90	204.149	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4123007	CIF	As2 Ba0.52 Fe2 K0.48	I 4/m m m	3.90675; 3.90675; 13.37425 90; 90; 90	204.127	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4123003	CIF	As2 Ba0.83 Fe2 K0.17	I 4/m m m	3.94518; 3.94518; 13.13219 90; 90; 90	204.395	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4123006	CIF	As2 Ba0.84 Fe2 K0.16	I 4/m m m	3.94518; 3.94518; 13.13219 90; 90; 90	204.395	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4123010	CIF	As2 Ba0.84 Fe2 K0.16	F m m m	5.5864; 5.5564; 13.061 90; 90; 90	405.42	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4124925	CIF	As2 Ca Co1.87	I 4/m m m	3.9927; 3.9927; 10.3133 90; 90; 90	164.411	Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731
4120528	CIF	As2 Ca0.73 Fe Pr0.27	P 1 21/m 1	3.9163; 3.8953; 10.311 90; 90.788; 90	157.28	Yakita, Hiroyuki; Ogino, Hiraku; Okada, Tomoyuki; Yamamoto, Akiyasu; Kishio, Kohji; Tohei, Tetsuya; Ikuhara, Yuichi; Gotoh, Yoshito; Fujihisa, Hiroshi; Kataoka, Kunimitsu; Eisaki, Hiroshi; Shimoyama, Jun-Ichi A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2. Journal of the American Chemical Society, 2014, 136, 846-849
4124926	CIF	As2 Ca0.845 Co1.888 La0.155	I 4/m m m	4.0018; 4.0018; 10.3726 90; 90; 90	166.111	Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731
4124924	CIF	As2 Ca0.9 Co1.906 Eu0.1	I 4/m m m	3.9984; 3.9984; 10.3696 90; 90; 90	165.781	Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731
4124927	CIF	As2 Co2 Eu	I 4/m m m	3.929; 3.929; 11.512 90; 90; 90	177.71	Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731
4117335	CIF	As2 Cs9 H74 Li3 Mo6 O109 S6 W18	P -6 2 m	22.818; 22.818; 21.265 90; 90; 120	9589	Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold Journal of the American Chemical Society, 2012, 134, 1724-1737
4123008	CIF	As2 Fe2 K	I 4/m m m	3.849; 3.849; 13.867 90; 90; 90	205.44	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M. Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route. Journal of the American Chemical Society, 2014, 141121132150009
4119241	CIF	As2 H26 Mn3 N10 S8	C 1 2/c 1	24.312; 7.9301; 12.412 90; 93.21; 90	2389.2	Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework Journal of the American Chemical Society, 2013, 135, 1256-1259
4112087	CIF	As20 B16 Cl10 Cs6 H16 O80	I 4/m	8.966; 8.966; 25.244 90; 90; 90	2029.3	Seth B. Wiggin; Mark T. Weller Boroarsenates: A Framework Motif and Family Templated on Cations and Anions Journal of the American Chemical Society, 2005, 127, 17172-17173
4104228	CIF	As3 Ca Fe4	P n m a	11.8953; 3.743; 11.61 90; 90; 90	516.92	Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties Journal of the American Chemical Society, 2009, 131, 5405-5407
4104229	CIF	As3 Ca Fe4	P n m a	11.8649; 3.7309; 11.5611 90; 90; 90	511.77	Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties Journal of the American Chemical Society, 2009, 131, 5405-5407
4104230	CIF	As3 Ca Fe4	P n m a	11.8656; 3.7322; 11.5622 90; 90; 90	512.03	Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties Journal of the American Chemical Society, 2009, 131, 5405-5407
4104231	CIF	As3 Ca Fe4	P n m a	11.852; 3.7352; 11.549 90; 90; 90	511.27	Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties Journal of the American Chemical Society, 2009, 131, 5405-5407
4119243	CIF	As3 H4 Mn N S6	R 3 :H	9.1872; 9.1872; 10.8539 90; 90; 120	793.38	Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework Journal of the American Chemical Society, 2013, 135, 1256-1259
4123963	CIF	As3 H6 N O13 Zn4	I 21 3	13.8527; 13.8527; 13.8527 90; 90; 90	2658.3	Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui Arsenate zeolite analogues with 11 topological types Journal of the American Chemical Society, 2001, 123, 8608-8609
4127420	CIF	As32 Eu15 Ga22	C 1 2/c 1	22.8204; 22.8257; 19.7972 90; 98.237; 90	10205.8	Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk Supertetrahedral Layers Based on GaAs or InAs. Journal of the American Chemical Society, 2019, 141, 11245-11252
4127421	CIF	As32 Eu15 In22	C 1 2/c 1	23.703; 23.702; 22.337 90; 113.473; 90	11510.7	Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk Supertetrahedral Layers Based on GaAs or InAs. Journal of the American Chemical Society, 2019, 141, 11245-11252
4127419	CIF	As32 Ga22 Sr15	C 1 2/c 1	22.966; 22.9639; 19.8929 90; 98.229; 90	10383.3	Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk Supertetrahedral Layers Based on GaAs or InAs. Journal of the American Chemical Society, 2019, 141, 11245-11252
4127424	CIF	As32 In22 Sr15	C 1 2/c 1	23.838; 23.818; 20.763 90; 98.244; 90	11667	Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk Supertetrahedral Layers Based on GaAs or InAs. Journal of the American Chemical Society, 2019, 141, 11245-11252
4118469	CIF	As4 Ba2 Fe2 O Ti2	I 4/m m m	4.0276; 4.02761; 27.3441 90; 90; 90	443.565	Yun-Lei Sun; Hao Jiang; Hui-Fei Zhai; Jin-Ke Bao; Wen-He Jiao; Qian Tao; Chen-Yi Shen; Yue-Wu Zeng; Zhu-An Xu; Guang-Han Cao Ba2Ti2Fe2As4O: A New Superconductor Containing Fe2As2 Layers and Ti2O Sheets Journal of the American Chemical Society, 2012, 134, 12893-12896
4105722	CIF	As4 Bi3 Cl13 Hg8	P 31 2 1	11.3324; 11.3324; 42.768 90; 90; 120	4756.6	Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials Journal of the American Chemical Society, 2011, 133, 3410-3418
4121563	CIF	As4 Co16 H120 Na28 O218 P4 W36	F d -3 :2	35.514; 35.514; 35.514 90; 90; 90	44792	Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation. Journal of the American Chemical Society, 2014, 136, 5359-5366
4117334	CIF	As4 Cs15 H128 Li9 Mo12 O208 S12 W36	C 1 2/c 1	47.2304; 18.6529; 36.3782 90; 126.753; 90	25678.1	Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold Journal of the American Chemical Society, 2012, 134, 1724-1737
4117333	CIF	As4 H214 Li10 Mo12 O246 Rb14 S12 W36	C 1 2/c 1	47.4379; 18.6347; 36.2086 90; 127.567; 90	25370.9	Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold Journal of the American Chemical Society, 2012, 134, 1724-1737
4119240	CIF	As4 H32 Mn2 N8 S16	P 1 2/n 1	9.2086; 8.8211; 20.7793 90; 96.047; 90	1678.51	Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework Journal of the American Chemical Society, 2013, 135, 1256-1259
1010609	CIF	As4 O6	F d -3 m :1	11.06; 11.06; 11.06 90; 90; 90	1352.9	Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxide Journal of the American Chemical Society, 1923, 45, 1621-1627
4102868	CIF	As4 S4	P 1 21/n 1	9.3204; 13.5483; 6.5794 90; 106.479; 90	796.69	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102869	CIF	As4 S4	P 1 21/n 1	9.3198; 13.548; 6.579 90; 106.475; 90	796.59	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102870	CIF	As4 S4	P 1 21/n 1	9.3198; 13.5479; 6.5789 90; 106.472; 90	796.58	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102871	CIF	As4 S4	P 1 21/n 1	9.3199; 13.548; 6.5788 90; 106.468; 90	796.6	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102872	CIF	As4 S4	P 1 21/n 1	9.3203; 13.5485; 6.5792 90; 106.466; 90	796.72	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102873	CIF	As4 S4	P 1 21/n 1	9.3201; 13.548; 6.5789 90; 106.464; 90	796.65	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102874	CIF	As4 S4	P 1 21/n 1	9.3204; 13.548; 6.5788 90; 106.46; 90	796.68	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102875	CIF	As4 S4	P 1 21/n 1	9.3208; 13.5481; 6.5791 90; 106.456; 90	796.77	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102876	CIF	As4 S4	P 1 21/n 1	9.3211; 13.5484; 6.579 90; 106.45; 90	796.83	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102877	CIF	As4 S4	P 1 21/n 1	9.3214; 13.5483; 6.5792 90; 106.446; 90	796.89	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102878	CIF	As4 S4	P 1 21/n 1	9.3218; 13.549; 6.5793 90; 106.44; 90	797	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102879	CIF	As4 S4	P 1 21/n 1	9.3218; 13.5491; 6.5792 90; 106.437; 90	797.01	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102880	CIF	As4 S4	P 1 21/n 1	9.3222; 13.549; 6.5794 90; 106.433; 90	797.07	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102881	CIF	As4 S4	P 1 21/n 1	9.3226; 13.5496; 6.5794 90; 106.427; 90	797.17	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102882	CIF	As4 S4	P 1 21/n 1	9.3231; 13.5498; 6.5795 90; 106.42; 90	797.26	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102883	CIF	As4 S4	P 1 21/n 1	9.3232; 13.5499; 6.5795 90; 106.417; 90	797.29	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102884	CIF	As4 S4	P 1 21/n 1	9.3231; 13.5497; 6.5793 90; 106.414; 90	797.26	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102885	CIF	As4 S4	P 1 21/n 1	9.3237; 13.55; 6.5797 90; 106.408; 90	797.4	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102886	CIF	As4 S4	P 1 21/n 1	9.324; 13.5505; 6.5797 90; 106.404; 90	797.47	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102887	CIF	As4 S4	P 1 21/n 1	9.3222; 13.5569; 6.5852 90; 106.507; 90	797.938	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102888	CIF	As4 S4	P 1 21/n 1	9.3252; 13.5608; 6.5854 90; 106.442; 90	798.72	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102889	CIF	As4 S4	P 1 21/n 1	9.3297; 13.5636; 6.5887 90; 106.349; 90	800.05	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102890	CIF	As4 S4	P 1 21/n 1	9.3348; 13.5692; 6.5881 90; 106.298; 90	800.95	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102891	CIF	As4 S4	P 1 21/n 1	9.3356; 13.5689; 6.5929 90; 106.24; 90	801.82	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102892	CIF	As4 S4	P 1 21/n 1	9.3409; 13.5708; 6.5947 90; 106.193; 90	802.8	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102893	CIF	As4 S4	P 1 21/n 1	9.3362; 13.5746; 6.6014 90; 106.262; 90	803.16	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102894	CIF	As4 S4	P 1 21/n 1	9.3425; 13.5732; 6.6003 90; 106.186; 90	803.79	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102895	CIF	As4 S4	P 1 21/n 1	9.346; 13.5777; 6.5936 90; 106.204; 90	803.47	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102896	CIF	As4 S4	P 1 21/n 1	9.3485; 13.583; 6.5934 90; 106.167; 90	804.13	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102897	CIF	As4 S4	P 1 21/n 1	9.3479; 13.5823; 6.5943 90; 106.151; 90	804.21	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102898	CIF	As4 S4	P 1 21/n 1	9.3502; 13.5844; 6.5948 90; 106.122; 90	804.71	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102899	CIF	As4 S4	P 1 21/n 1	9.3316; 13.5678; 6.5866 90; 106.178; 90	800.9	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102900	CIF	As4 S4	P 1 21/n 1	9.3235; 13.5573; 6.5865 90; 106.533; 90	798.12	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102901	CIF	As4 S4	P 1 21/n 1	9.3242; 13.5575; 6.5875 90; 106.517; 90	798.38	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102902	CIF	As4 S4	P 1 21/n 1	9.3244; 13.5579; 6.5877 90; 106.512; 90	798.47	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102903	CIF	As4 S4	P 1 21/n 1	9.3245; 13.5582; 6.5876 90; 106.504; 90	798.51	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102904	CIF	As4 S4	P 1 21/n 1	9.3249; 13.5583; 6.5875 90; 106.5; 90	798.56	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102905	CIF	As4 S4	P 1 21/n 1	9.3257; 13.5589; 6.5879 90; 106.496; 90	798.73	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102906	CIF	As4 S4	P 1 21/n 1	9.3253; 13.5586; 6.5877 90; 106.492; 90	798.67	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102907	CIF	As4 S4	P 1 21/n 1	9.3257; 13.5587; 6.5876 90; 106.487; 90	798.72	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102908	CIF	As4 S4	P 1 21/n 1	9.3265; 13.5596; 6.5879 90; 106.484; 90	798.89	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102909	CIF	As4 S4	P 1 21/n 1	9.3267; 13.5596; 6.588 90; 106.48; 90	798.93	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102910	CIF	As4 S4	P 1 21/n 1	9.3261; 13.5597; 6.5877 90; 106.475; 90	798.87	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102911	CIF	As4 S4	P 1 21/n 1	9.3268; 13.56; 6.5878 90; 106.472; 90	798.97	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102912	CIF	As4 S4	P 1 21/n 1	9.3264; 13.559; 6.5876 90; 106.471; 90	798.86	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102913	CIF	As4 S4	P 1 21/n 1	9.3266; 13.5579; 6.5869 90; 106.462; 90	798.77	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102914	CIF	As4 S4	P 1 21/n 1	9.3286; 13.5614; 6.5881 90; 106.447; 90	799.35	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102915	CIF	As4 S4	P 1 21/n 1	9.3294; 13.5627; 6.5886 90; 106.44; 90	799.58	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102916	CIF	As4 S4	P 1 21/n 1	9.3299; 13.5634; 6.5888 90; 106.436; 90	799.71	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102917	CIF	As4 S4	P 1 21/n 1	9.3301; 13.5634; 6.5888 90; 106.43; 90	799.75	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102918	CIF	As4 S4	P 1 21/n 1	9.3308; 13.5643; 6.589 90; 106.428; 90	799.9	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102919	CIF	As4 S4	P 1 21/n 1	9.3303; 13.5634; 6.5888 90; 106.422; 90	799.8	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102920	CIF	As4 S4	P 1 21/n 1	9.3298; 13.5627; 6.5882 90; 106.421; 90	799.65	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102921	CIF	As4 S4	P 1 21/n 1	9.3303; 13.5624; 6.5879 90; 106.411; 90	799.68	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4102922	CIF	As4 S4	P 1 21/n 1	9.3313; 13.5636; 6.5884 90; 106.402; 90	799.93	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar Journal of the American Chemical Society, 2010, 132, 11398-11401
4117332	CIF	As6 H192 K34.5 Mo18 Na1.5 O312 S18 W54	P 1 21/n 1	21.112; 44.991; 38.4158 90; 96.196; 90	36276	Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold Journal of the American Chemical Society, 2012, 134, 1724-1737
4117330	CIF	As6 H240 K3.5 Mo18 Na32.5 O336 S18 W54	P -1	22.217; 25.49; 37.77 75.41; 85.28; 83.71	20542	Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold Journal of the American Chemical Society, 2012, 134, 1724-1737
4117331	CIF	As6 H392 K Li35 Mo18 O412 S18 W54	P n m a	39.7619; 37.8141; 25.0128 90; 90; 90	37608.3	Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold Journal of the American Chemical Society, 2012, 134, 1724-1737
4127423	CIF	As8 Eu3 Ga6	C 1 2/c 1	22.74; 22.747; 25.505 90; 96.393; 90	13111	Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk Supertetrahedral Layers Based on GaAs or InAs. Journal of the American Chemical Society, 2019, 141, 11245-11252
4127422	CIF	As8 Ga6 Sr3	C 1 2/c 1	22.8363; 22.8335; 26.8169 90; 108.613; 90	13251.8	Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk Supertetrahedral Layers Based on GaAs or InAs. Journal of the American Chemical Society, 2019, 141, 11245-11252
4123416	CIF	Au Bi Pb2 S3 Te2	P m m n :2	12.3722; 4.0997; 9.3435 90; 90; 90	473.92	Fang, Lei; Im, Jino; Stoumpos, Constantinos C.; Shi, Fengyuan; Dravid, Vinayak; Leroux, Maxime; Freeman, Arthur J.; Kwok, Wai-Kwong; Chung, Duck Young; Kanatzidis, Mercouri Two-Dimensional Mineral [Pb2BiS3][AuTe2]: High-Mobility Charge Carriers in Single-Atom-Thick Layers. Journal of the American Chemical Society, 2015, 137, 2311-2317
4123311	CIF	Au Ce Sb	P 63/m m c	4.61403; 4.61403; 16.6348 90; 90; 120	306.697	Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J. Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm). Journal of the American Chemical Society, 2015, 137, 1282-1289
6000559	CIF	Au F3	P 61 2 2	5.1508; 5.1508; 16.2637 90; 90; 120	373.68	Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198
4109877	CIF	Au H54 K15 O95 P2 W18	F d d d :2	28.594; 31.866; 38.241 90; 90; 90	34844	Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill Terminal Gold-Oxo Complexes Journal of the American Chemical Society, 2007, 129, 11118-11133
4109880	CIF	Au H57 K9 O93.5 P2 W18	F d d d :2	28.605; 31.857; 38.273 90; 90; 90	34877	Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill Terminal Gold-Oxo Complexes Journal of the American Chemical Society, 2007, 129, 11118-11133
4123309	CIF	Au La Sb	P 63/m m c	4.63839; 4.63839; 16.83143 90; 90; 120	313.607	Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J. Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm). Journal of the American Chemical Society, 2015, 137, 1282-1289
4123310	CIF	Au Nd Sb	P 63/m m c	4.58003; 4.58003; 16.47753 90; 90; 120	299.336	Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J. Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm). Journal of the American Chemical Society, 2015, 137, 1282-1289
4109881	CIF HKL	Au0.88 H20 K12.5 O80 P2 W18	F d d d :2	28.721; 31.61; 39.159 90; 90; 90	35551	Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill Terminal Gold-Oxo Complexes Journal of the American Chemical Society, 2007, 129, 11118-11133
4109878	CIF	Au1.05 H62 K7.5 O101 P2 W19.95	P 63/m m c	16.173; 16.173; 19.7659 90; 90; 120	4477.4	Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill Terminal Gold-Oxo Complexes Journal of the American Chemical Society, 2007, 129, 11118-11133
4109448	CIF	Au12.2 Ca3 In6.3	I m -3	15.152; 15.152; 15.152 90; 90; 90	3478.6	Qisheng Lin; John D. Corbett Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning Journal of the American Chemical Society, 2007, 129, 6789-6797
4120322	CIF HKL	Au16 Ba8 P30	P b c n	14.6362; 10.4655; 28.9836 90; 90; 90	4439.57	James Fulmer; Oleg I. Lebedev; Vladimir Roddatis; Derrick C. Kaseman; Sabyasachi Sen; Juli-Anna Dolyniuk; Kathleen Lee; Andrei V. Olenev; Kirill Kovnir Clathrate Ba8Au16P30: The "Gold Standard" for Lattice Thermal Conductivity Journal of the American Chemical Society, 2013, 135, 12313-12323
4102302	CIF	Au16 Bi4.78 Ca3.22	F -4 3 m	7.9046; 7.9046; 7.9046 90; 90; 90	493.9	Qisheng Lin; John D. Corbett Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition Journal of the American Chemical Society, 2010, 132, 5662-5671
4102299	CIF	Au19.4 Bi0.6 Ca4	F -4 3 m	7.7646; 7.7646; 7.7646 90; 90; 90	468.12	Qisheng Lin; John D. Corbett Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition Journal of the American Chemical Society, 2010, 132, 5662-5671
1010201	CIF	Au2 Cl6 Cs2	I 4/m m m	7.49; 7.49; 10.87 90; 90; 90	609.8	Elliott, N; Pauling, L The Crystal Structure of Cesium Aurous Auric Chloride, Vs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~ Journal of the American Chemical Society, 1938, 60, 1846-1851
4117645	CIF	Au3 Ge Sr	P 4/n m m :2	6.2741; 6.2741; 5.4944 90; 90; 90	216.28	Qisheng Lin; John D Corbett Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion Journal of the American Chemical Society, 2012, 134, 4877-4884
4117646	CIF	Au3 Ge Sr	P 4/n m m :2	6.2638; 6.2638; 5.5082 90; 90; 90	216.12	Qisheng Lin; John D Corbett Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion Journal of the American Chemical Society, 2012, 134, 4877-4884
4117647	CIF	Au3 Ge Sr	P 4/n m m :2	6.249; 6.249; 5.5104 90; 90; 90	215.18	Qisheng Lin; John D Corbett Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion Journal of the American Chemical Society, 2012, 134, 4877-4884
4109449	CIF	Au37 Ca12.6 In39.6	P a -3	24.632; 24.632; 24.632 90; 90; 90	14945	Qisheng Lin; John D. Corbett Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning Journal of the American Chemical Society, 2007, 129, 6789-6797
4110908	CIF	Au4 In2 K	I 4/m c m	8.6675; 8.6675; 8.3684 90; 90; 90	628.68	Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393
4110910	CIF	Au4 In2 K0.65 Rb0.35	I 4/m c m	8.7852; 8.7852; 8.3259 90; 90; 90	642.59	Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393
4110911	CIF	Au4 In2 K0.87 Rb0.13	I 4/m c m	8.7032; 8.7032; 8.337 90; 90; 90	631.49	Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393
4110909	CIF	Au4 In2 Rb	I 4/m c m	8.8349; 8.8349; 8.2736 90; 90; 90	645.8	Bin Li; John D. Corbett Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb) Journal of the American Chemical Society, 2006, 128, 12392-12393
4119195	CIF	Au5 Mn Y3	R -3 :H	8.4899; 8.4899; 18.144 90; 90; 120	1132.58	Saroj L. Samal; Abhishek Pandey; David C. Johnston; John D. Corbett Y3MnAu5: Three Distinctived-Metal Functions in an Intergrown Cluster Phase Journal of the American Chemical Society, 2013, 135, 910-917
4120171	CIF	Au6.4 Ba2 Zn2.6	R -3 c :H	8.6386; 8.6386; 21.963 90; 90; 120	1419.41	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4120177	CIF	Au6.81 Ba2 Ga2.19	R -3 c :H	8.7186; 8.7186; 21.816 90; 90; 120	1436.1	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4120176	CIF	Au6.94 Ba2 Cd2.06	R -3 c :H	8.8352; 8.8352; 22.51 90; 90; 120	1521.73	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4120178	CIF	Au6.97 Ba2 In2.03	R -3 c :H	8.8478; 8.8478; 22.487 90; 90; 120	1524.5	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4120174	CIF	Au7.11 Ba2 Zn1.89	R -3 c :H	8.6747; 8.6747; 22.004 90; 90; 120	1434	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4120175	CIF	Au7.89 Ba2 Zn1.11	R -3 c :H	8.6762; 8.6762; 22.238 90; 90; 120	1449.72	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4120172	CIF	Au7.97 Ba2 Zn1.03	R -3 c :H	8.6645; 8.6645; 22.325 90; 90; 120	1451.5	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4102303	CIF	Au8 Bi2.64 Ca1.36	F -4 3 m	7.9505; 7.9505; 7.9505 90; 90; 90	502.55	Qisheng Lin; John D. Corbett Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition Journal of the American Chemical Society, 2010, 132, 5662-5671
4120173	CIF	Au8.06 Ba2 Sn0.94	R -3 c :H	8.8112; 8.8112; 22.308 90; 90; 120	1499.9	Qisheng Lin; Trinath Mishra; John D. Corbett Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn) Journal of the American Chemical Society, 2013, 135, 11023-11031
4102301	CIF	Au8.18 Bi1.82 Ca2	F -4 3 m	7.9199; 7.9199; 7.9199 90; 90; 90	496.77	Qisheng Lin; John D. Corbett Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition Journal of the American Chemical Society, 2010, 132, 5662-5671
4102300	CIF	Au9.34 Bi0.66 Ca2	F -4 3 m	7.8246; 7.8246; 7.8246 90; 90; 90	479.06	Qisheng Lin; John D. Corbett Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition Journal of the American Chemical Society, 2010, 132, 5662-5671
9012288	CIF	B	P -4 n 2	8.73; 8.73; 5.03 90; 90; 90	383.351	Hoard, J. L.; Geller, S.; Hughes, R. E. On the structure of elementary boron Journal of the American Chemical Society, 1951, 73, 1892-1893
9012309	CIF	B	P 42/n n m :1	8.74; 8.74; 5.068 90; 90; 90	387.132	Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: needle III Journal of the American Chemical Society, 1958, 80, 4507-4515
9012310	CIF	B	P 42/n n m :1	8.771; 8.771; 5.088 90; 90; 90	391.422	Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: plate Journal of the American Chemical Society, 1958, 80, 4507-4515
4125285	CIF	B Bi3 O9 Te	P 63	8.751; 8.751; 5.8981 90; 90; 120	391.16	Xia, Mingjun; Jiang, Xingxing; Lin, Zheshuai; Li, Rukang "All-Three-in-One": A New Bismuth-Tellurium-Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response. Journal of the American Chemical Society, 2016, 138, 14190-14193
4119072	CIF	B Cl15 Cs K Zr6	P m m a	18.672; 14.026; 9.731 90; 90; 90	2548.49	Corbett, J.D.; Ziebarth, R.P. Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds Cs K Zr6 Cl15 C and Cs K Zr6 Cl15 B Journal of the American Chemical Society, 1987, 109, 4844-4850
4119073	CIF	B Cl15 K2 Zr6	C c c m	11.386; 15.98; 14.008 90; 90; 90	2548.73	Corbett, J.D.; Ziebarth, R.P. Cluster Framework Structures and Relationships. Two Compounds with a New Connectivity, K2 Zr6 Cl15 B and K3 Zr6 Cl15 Be Journal of the American Chemical Society, 1988, 110, 1132-1139
4119074	CIF	B Cs I14 Zr6	C m c a	15.939; 14.263; 12.974 90; 90; 90	2949.48	Corbett, J.D.; Smith, J.D. Four zirconium iodide cluster phases centered by boron, aluminum, or silicon Journal of the American Chemical Society, 1986, 108, 1927-1934
4114280	CIF	B F4 Fe N3 O3	P 1 21/n 1	9.167; 7.5255; 10.327 90; 97.571; 90	706.21	Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes Journal of the American Chemical Society, 2003, 125, 12935-12944
4124798	CIF	B F4 H N4 S4	P 1 21/n 1	6.563; 11.717; 11.409 90; 101.63; 90	859.325	Cordes, A.W.; Noble, M.C.; Marcellus, C.G.; Pennington, W.T.; Oakley, R.T. Preparation and Crystal and Molecular Structure of S4 N4 H(+) B F4(-). Molecular Orbital Study of the Protonation of Tetrasulfur Tetranitride Journal of the American Chemical Society, 1983, 105, 6008-6012
1011135	CIF	B F4 H4 N	P n m a	9.06; 5.64; 7.23 90; 90; 90	369.4	Hoard, J L; Blair, V The crystal structures of rubidium and ammonium fluoborates Journal of the American Chemical Society, 1935, 57, 1985-1988
1010094	CIF	B F4 Rb	P n m a	9.07; 5.6; 7.23 90; 90; 90	367.2	Hoard, J L; Blair, V The Crystal Structures of Rubidium and Ammonium Fluoborates Journal of the American Chemical Society, 1935, 57, 1985-1988
4124794	CIF	B H4 Na	F -4 3 m	6.139; 6.139; 6.139 90; 90; 90	231.362	Soldate, A.M. Crystal structure of sodium borohydride Journal of the American Chemical Society, 1947, 69, 987-988
4102947	CIF	B H5 K N	P b c a	9.349; 8.209; 17.192 90; 90; 90	1319.4	Himashinie V. K. Diyabalanage; Tessui Nakagawa; Roshan P. Shrestha; Troy A. Semelsberger; Benjamin L. Davis; Brian L. Scott; Anthony K. Burrell; William I. F. David; Kate R. Ryan; Martin Owen Jones; Peter P. Edwards Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release Journal of the American Chemical Society, 2010, 132, 11836-11837
4106960	CIF	B H5 N Na	P b c a	5.6446; 7.425; 14.514 90; 90; 90	608.3	David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage Journal of the American Chemical Society, 2011, 133, 16598-16604
4116439	CIF	B H6 N	P m n 21	5.395; 4.887; 4.986 90; 90; 90	131.46	Wim T. Klooster; Thomas F. Koetzle; Per E. M. Siegbahn; Thomas B. Richardson; Robert H. Crabtree Study of the N-H...H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction Journal of the American Chemical Society, 1999, 121, 6337-6343
4124654	CIF	B H6 N	I 4 m m	5.255; 5.255; 5.048 90; 90; 90	139.401	Hughes, E.W. The Crystal Structure of Ammonia-Borane, H3 N B H3 Journal of the American Chemical Society, 1956, 78, 502-503
4119075	CIF	B I12 Zr6	R -3 :H	14.534; 14.534; 9.986 90; 90; 120	1826.81	Smith, J.D.; Corbett, J.D. Four zirconium iodide cluster phases centered by boron, aluminum, or silicon Journal of the American Chemical Society, 1986, 108, 1927-1934
4127821	CIF	B Na2 P2	P n m a	9.5672; 3.2014; 6.104 90; 90; 90	186.96	Woo, Katherine E.; Wang, Jian; Mark, Justin; Kovnir, Kirill Directing Boron-Phosphorus Bonds in Crystalline Solid: Oxidative Polymerization of P═B═P Monomers into 1D Chains. Journal of the American Chemical Society, 2019, 141, 13017-13021
4119492	CIF	B11 Ba4 F O20	C m c 21	18.8112; 10.7151; 8.6031 90; 90; 90	1734.1	Hongping Wu; Hongwei Yu; Zhihua Yang; Xueling Hou; Xin Su; Shilie Pan; Kenneth R. Poeppelmeier; James M. Rondinelli Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response Journal of the American Chemical Society, 2013, 135, 4215-4218
4121299	CIF	B12 Be12 Li Na5 O33	P 1 c 1	8.8552; 22.8039; 12.669 90; 110.323; 90	2399	Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33 Journal of the American Chemical Society, 2013, 135, 18319-18322
4114851	CIF	B12 Co2 H4 Li2 O23	I 1 2/a 1	17.4296; 4.5518; 19.5893 90; 103.91; 90	1508.56	Jesse L. C. Rowsell; Nicholas J. Taylor; Linda F. Nazar Structure and Ion Exchange Properties of a New Cobalt Borate with a Tunnel Structure "Templated" by Na+ Journal of the American Chemical Society, 2002, 124, 6522-6523
4114850	CIF	B12 Co2 Na2 O21	I 1 2/a 1	17.1447; 4.553; 19.4408 90; 103.212; 90	1477.4	Jesse L. C. Rowsell; Nicholas J. Taylor; Linda F. Nazar Structure and Ion Exchange Properties of a New Cobalt Borate with a Tunnel Structure "Templated" by Na+ Journal of the American Chemical Society, 2002, 124, 6522-6523
4103153	CIF	B12 F12 H4 K2 O2	P 1 21/c 1	7.2955; 11.2522; 9.2269 90; 103.73; 90	735.8	Dmitry V. Peryshkov; Alexey A. Popov; Steven H. Strauss Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water Vapor Journal of the American Chemical Society, 2010, 132, 13902-13913
4103154	CIF	B12 F12 H8 K2 O4	P -1	8.3988; 8.5982; 12.7454 98.83; 102.056; 104.958	848.39	Dmitry V. Peryshkov; Alexey A. Popov; Steven H. Strauss Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water Vapor Journal of the American Chemical Society, 2010, 132, 13902-13913
4119076	CIF	B12 Ga2 O24 P2 Zn6	I -4 3 m	7.6139; 7.6139; 7.6139 90; 90; 90	441.389	Eckert, H.; Moran, K.L.; Wasylishen, R.E.; Harrison, W.T.A.; Eichele, K.; Gier, T.E.; Stucky, G.D. Synthesis and characterization of mixed ZnSe/GaP semiconductor species included in the sodalite structure Journal of the American Chemical Society, 1993, 115, 10553-10558
4124319	CIF	B12 H16	P n a 21	10.686; 8.686; 11.351 90; 90; 90	1053.58	Brewer, C.T.; Grimes, R.N. Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the first neutral dodecaborane Journal of the American Chemical Society, 1984, 106, 2722-2723
4119077	CIF	B12 O24 Se2 Zn8	I -4 3 m	7.6801; 7.6801; 7.6801 90; 90; 90	453.003	Eckert, H.; Moran, K.L.; Harrison, W.T.A.; Wasylishen, R.E.; Stucky, G.D.; Eichele, K.; Gier, T.E. Synthesis and characterization of mixed ZnSe/GaP semiconductor species included in the sodalite structure Journal of the American Chemical Society, 1993, 115, 10553-10558
4118155	CIF	B13 Cl2 O27 Pu2	P 1 21/n 1	8.0522; 14.568; 9.82 90; 90.12; 90	1151.9	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4118157	CIF	B14 Cl Cm2 O29	P 1 21/n 1	7.9561; 14.212; 9.836 90; 90.013; 90	1112.2	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4126816	CIF	B15 Ba K7 Lu2 O30	R 3 2 :H	12.9705; 12.9705; 15.651 90; 90; 120	2280.3	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126821	CIF	B15 Ba K7 O30 Y2	R 3 2 :H	12.9884; 12.9884; 15.718 90; 90; 120	2296.4	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126813	CIF	B15 Bi2 K7 O30 Pb	R 3 2 :H	13.331; 13.331; 14.91 90; 90; 120	2294.7	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126817	CIF	B15 Bi2 K7 O30 Sr	R 3 2 :H	13.2512; 13.2512; 15.288 90; 90; 120	2324.8	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126820	CIF	B15 Ca Gd2 K7 O30	R 3 2 :H	13.31; 13.31; 15.005 90; 90; 120	2302.1	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126818	CIF	B15 Ca K7 Lu2 O30	R 3 2 :H	13.1433; 13.1433; 14.905 90; 90; 120	2229.8	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126815	CIF	B15 Ca K7 O30 Y2	R 3 2 :H	13.2182; 13.2182; 14.949 90; 90; 120	2262	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126822	CIF	B15 Gd2 K7 O30 Sr	R 3 2 :H	13.148; 13.148; 15.417 90; 90; 120	2308.1	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126819	CIF	B15 Gd2.5 K7.5 O30	R 3 2 :H	13.265; 13.265; 15.282 90; 90; 120	2329	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126811	CIF	B15 K7 Lu2 O30 Sr	R 3 2 :H	13.0208; 13.0208; 15.297 90; 90; 120	2246	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126812	CIF	B15 K7 O30 Sr Y2	R 3 2 :H	13.1142; 13.1142; 15.319 90; 90; 120	2281.6	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4126814	CIF	B15 K7.5 O30 Y2.5	R 3 2 :H	13.142; 13.142; 15.099 90; 90; 120	2258.4	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017
4118152	CIF	B18 Cl3 Eu4 O38	P 1 2/c 1	10.4397; 6.4189; 23.0367 90; 97.196; 90	1531.56	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4118151	CIF	B18 Cl3 O38 Sm4	P 1 2/c 1	10.448; 6.4192; 23.051 90; 97.22; 90	1533.7	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4131154	CIF	B2 H42 O6	C 1 2/c 1	23.2609; 10.0529; 13.4445 90; 99.182; 90	3103.6	Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene). Journal of the American Chemical Society, 2016, 138, 16208-16211
4128441	CIF	B2 Li2 Na2 O5	C m c m	3.313; 9.985; 13.4 90; 90; 90	443.3	Zhang, Min; An, Donghai; Hu, Cong; Chen, Xinglong; Yang, Zhihua; Pan, Shilie Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li<sub>2</sub>Na<sub>2</sub>B<sub>2</sub>O<sub>5</sub> Material with an Unvalued B<sub>2</sub>O<sub>5</sub> Functional Gene. Journal of the American Chemical Society, 2019, 141, 3258-3264
4101313	CIF	B2 O7 Se2	P 21 21 21	7.4815; 7.8984; 9.0478 90; 90; 90	534.65	Kong, Fang; Huang, Shu-Ping; Sun, Zhong-Ming; Mao, Jiang-Gao; Cheng, Wen-Dan Se2(B2O7): a new type of second-order NLO material. Journal of the American Chemical Society, 2006, 128, 7750-7751
4127432	CIF	B20 Eu9 Mg O41 S2	P 63/m	8.2708; 8.2708; 24.919 90; 90; 120	1476.2	Chi, Yang; Xu, Jing; Xue, Huai-Guo; Zhang, Yueping; Chen, Xiaolong; Whangbo, Myung-Hwan; Guo, Sheng-Ping; Deng, Shuiquan Triple-Kagomé-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu<sub>9</sub>MgS<sub>2</sub>B<sub>20</sub>O<sub>41</sub>. Journal of the American Chemical Society, 2019, 141, 9533-9536
4124171	CIF	B3 Ba3 Cl O9 Pb2	C 2 2 21	10.4706; 14.4379; 7.9454 90; 90; 90	1201.1	Dong, Xiaoyu; Jing, Qun; Shi, Yunjing; Yang, Zhihua; Pan, Shilie; Poeppelmeier, Kenneth R.; Young, Joshua; Rondinelli, James M. Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups. Journal of the American Chemical Society, 2015, 137, 9417-9422
4102581	CIF	B3 Be Na O6	P n a 21	9.153; 11.934; 4.372 90; 90; 90	477.6	Shichao Wang; Ning Ye; Wei Li; Dan Zhao Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals Journal of the American Chemical Society, 2010, 132, 8779-8786
4102582	CIF	B3 Be2 K O7	C 1 2/c 1	10.405; 9.001; 6.559 90; 114.543; 90	558.8	Shichao Wang; Ning Ye; Wei Li; Dan Zhao Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals Journal of the American Chemical Society, 2010, 132, 8779-8786
4102583	CIF	B3 Be2 K O7	P m n 21	7.639; 17.464; 4.376 90; 90; 90	583.8	Shichao Wang; Ning Ye; Wei Li; Dan Zhao Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals Journal of the American Chemical Society, 2010, 132, 8779-8786
4102585	CIF	B3 Be2 O7 Rb	P m n 21	7.687; 17.724; 4.393 90; 90; 90	598.5	Shichao Wang; Ning Ye; Wei Li; Dan Zhao Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals Journal of the American Chemical Society, 2010, 132, 8779-8786
4101859	CIF	B3 Bi Cd4 O10	C 1 m 1	8.044; 15.913; 3.4891 90; 100.08; 90	439.7	Wei-Long Zhang; Wen-Dan Cheng; Hao Zhang; Lei Geng; Chen-Sheng Lin; Zhang-Zhen He A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures Journal of the American Chemical Society, 2010, 132, 1508-1509
4124632	CIF	B3 Cl3 H3 N3	P n m a	14; 13.54; 3.95 90; 90; 90	748.762	Coursen, D.L.; Hoard, J.L. The Structure of B-Trichloroborazole Journal of the American Chemical Society, 1952, 74, 1742-1750
4103784	CIF	B3 H10 N	P 1 21/n 1	10.358; 4.8041; 9.967 90; 115.141; 90	449	Chang Won Yoon; Patrick J. Carroll; Larry G. Sneddon Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic Hydrogen-Release Properties Journal of the American Chemical Society, 2009, 131, 855-864
4119071	CIF	B3 H7 N	P 1 21/n 1	10.4; 4.824; 9.997 90; 115.2; 90	453.812	Reimann, C.; Nordman, C.E. The molecular and crystal structures of ammonia-triborane Journal of the American Chemical Society, 1959, 81, 3538-3543
4121298	CIF	B4 Be4 Na2 O11	P 1	8.8444; 15.2496; 12.7402 89.935; 110.35; 89.9883	1611.1	Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33 Journal of the American Chemical Society, 2013, 135, 18319-18322
4118150	CIF	B4 Ce Cl O8	C 1 c 1	6.5079; 11.2082; 9.7133 90; 105.25; 90	683.56	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4118149	CIF	B4 Cl La O8	C 1 c 1	6.5109; 11.2402; 9.7941 90; 105.228; 90	691.6	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4118154	CIF	B4 Cl O8 Pu	C 1 c 1	6.4898; 11.174; 9.6183 90; 105.15; 90	673.2	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4101578	CIF	B4 Cu Li6 O10	P 1	4.8131; 6.4288; 7.0223 83.369; 71.623; 73.364	197.5	Pan, Shilie; Smit, Jared P; Watkins, Byron; Marvel, Michael R; Stern, Charlotte L; Poeppelmeier, Kenneth R Synthesis, crystal structure, and nonlinear optical properties of Li6CuB4O10: a congruently melting compound with isolated [CuB4O10]6- units. Journal of the American Chemical Society, 2006, 128, 11631-11634
4118392	CIF	B4 Fe4 Li4 O12	P 1 21/c 1	10.3362; 8.8687; 10.1656 90; 91.514; 90	931.54	Yuri Janssen; Derek S. Middlemiss; Shou-Hang Bo; Clare P. Grey; Peter G. Khalifah Structural Modulation in the High Capacity Battery Cathode Material LiFeBO3 Journal of the American Chemical Society, 2012, 134, 12516-12527
4124316	CIF	B4 H16 Np	P 42/n m c :1	8.559; 8.559; 6.017 90; 90; 90	440.784	Banks, R.H.; Templeton, D.H.; Edelstein, N.M.; Spencer, B.; Zalkin, A. Volatility and molecular structure of neptunium(IV) borohydride Journal of the American Chemical Society, 1980, 102, 620-623
4123979	CIF	B4 H16 U	P 41 21 2	7.49; 7.49; 13.24 90; 90; 90	742.765	Bernstein, E.R.; Keiderling, T.A.; Lippard, S.J.; Mayerle, J.J. Structure of uranium borohydride by single-crystal X-Ray diffraction Journal of the American Chemical Society, 1972, 94, 2552-2553
4127852	CIF	B4.27 K O3	P -6 2 m	6.072; 6.072; 3.469 90; 90; 120	110.764	Kambe, Tetsuya; Hosono, Reina; Imaoka, Shotaro; Kuzume, Akiyoshi; Yamamoto, Kimihisa Solution Phase Mass Synthesis of 2D Atomic Layer with Hexagonal Boron Network. Journal of the American Chemical Society, 2019, 141, 12984-12988
4106477	CIF	B5 Be6 Cs Na2 O15	C 1 2 1	13.885; 4.4332; 10.874 90; 103.141; 90	651.8	Shichao Wang; Ning Ye Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal Journal of the American Chemical Society, 2011, 133, 11458-11461
4103070	CIF	B5 I O9 Pb2	P n n 2	11.561; 11.7; 6.524 90; 90; 90	882.5	Yi-Zhi Huang; Li-Ming Wu; Xin-Tao Wu; Long-Hua Li; Ling Chen; Yong-Fan Zhang Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation Journal of the American Chemical Society, 2010, 132, 12788-12789
4106144	CIF	B6 Cl K3 O10	R 3 m :H	10.0624; 10.0624; 8.8361 90; 90; 120	774.8	Hongping Wu; Shilie Pan; Kenneth R. Poeppelmeier; Hongyi Li; Dianzeng Jia; Zhaohui Chen; Xiaoyun Fan; Yun Yang; James M. Rondinelli; Haosu Luo K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge Journal of the American Chemical Society, 2011, 133, 7786-7790
4112987	CIF	B6 Cr H16	P -1	4.3898; 5.694; 9.023 105.192; 93.81; 111.102	199.79	Dean M. Goedde; Gregory S. Girolami A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes Journal of the American Chemical Society, 2004, 126, 12230-12231
4115016	CIF	B6 Dy4 O15	C 1 2/c 1	11.6938; 4.3777; 18.9304 90; 96.657; 90	962.6	Hubert Huppertz; Benjamin von der Eltz Multianvil High-Pressure Synthesis of Dy4B6O15: The First Oxoborate with Edge-Sharing BO4 Tetrahedra Journal of the American Chemical Society, 2002, 124, 9376-9377
4119078	CIF	B6 Dy4 O15	C 1 2/c 1	11.6806; 4.3759; 18.9153 90; 96.703; 90	960.212	von der Eltz, B.; Huppertz, H. Multianvil high-pressure synthesis of Dy4 B6 O15: the first oxoborate with edge-sharing B O4 tetrahedra Journal of the American Chemical Society, 2002, 124, 9376-9377
4119079	CIF	B6 Ho O18 Sc Sr6	R -3 :H	12.285; 12.285; 9.268 90; 90; 120	1211.34	Cox, J.R.; Douglas, A.K.; Alekel, T.; Schaffers, K.I.; Thompson, P.D. New structural class of solid-state oxide Journal of the American Chemical Society, 1990, 112, 7068-7069
4118153	CIF	B6 O12 Y	R 3 c :H	8.346; 8.346; 20.58 90; 90; 120	1241	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt Differentiating between Trivalent Lanthanides and Actinides Journal of the American Chemical Society, 2012, 134, 10682-10692
4102584	CIF	B9 Be6 K3 O21	P 1 21 1	7.4766; 13.2701; 9.3263 90; 111.272; 90	862.3	Shichao Wang; Ning Ye; Wei Li; Dan Zhao Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals Journal of the American Chemical Society, 2010, 132, 8779-8786
4120491	CIF	B9 Cs3 O21 Zn6	C m c 21	8.4268; 19.2101; 14.5611 90; 90; 90	2357.1	Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Hou, Xueling; Su, Xin; Jing, Qun; Poeppelmeier, Kenneth R.; Rondinelli, James M. Cs3Zn6B9O21: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response. Journal of the American Chemical Society, 2014, 136, 1264-1267
4114897	CIF	B9 H14 K	P 1 21/c 1	7.717; 11.674; 10.054 90; 95.09; 90	902.2	Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton Structural Chemistry of arachno-Nonaboranes Journal of the American Chemical Society, 2002, 124, 7429-7439
4107911	CIF HKL	Ba Ca Fe3 Nd O8	P m m a	5.52075; 11.68876; 5.60301 90; 90; 90	361.566	Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments Journal of the American Chemical Society, 2008, 130, 7570-7583
4103704	CIF	Ba Co F4	C m c 21	4.2173; 14.6573; 5.8656 90; 90; 90	362.58	Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family Journal of the American Chemical Society, 2010, 132, 17684-17685
4124851	CIF	Ba Co O2.23	P m -3 m	4.072; 4.072; 4.072 90; 90; 90	67.519	Strauss, S.W.; Fankuchen, I.; Ward, R. Barium Cobalt Oxide of the Perowskite Type Journal of the American Chemical Society, 1951, 73, 5084-5086
4124649	CIF	Ba Co O3	P 63/m m c	5.59; 5.59; 4.82 90; 90; 120	130.437	Gushee, B.E.; Katz, L.; Ward, R. The preparation of a barium cobalt oxide and other phases with similar structures Journal of the American Chemical Society, 1957, 79, 5601-5603
4124015	CIF	Ba D Ga Ge	P 3 m 1	4.3344; 4.3344; 5.1895 90; 90; 120	84.433	Evans, M.J.; Garcia-Garcia, F.J.; Holland, G.P.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147
4124014	CIF	Ba D Ga Si	P 3 m 1	4.2776; 4.2776; 5.1948 90; 90; 120	82.319	Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147
4124016	CIF	Ba D Ga Sn	P 3 m 1	4.559; 4.559; 5.298 90; 90; 120	95.363	Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147
4123998	CIF	Ba D2 Ga2	P -3 m 1	4.5286; 4.5286; 4.8991 90; 90; 120	87.011	Bjoerling, T.; Haeussermann, U. Polyanionic hydrides from polar intermetallics Ae E2 (Ae = Ca, Sr, Ba; E = Al, Ga, In) Journal of the American Chemical Society, 2006, 128, 817-824
4127882	CIF	Ba F Mn0.5 Te	P 4/n m m :1	4.4704; 4.4704; 9.634 90; 90; 90	192.53	Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G. Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence. Journal of the American Chemical Society, 2019, 141, 17421-17430
4127883	CIF	Ba F Mn0.5 Te	C m m a	6.3205; 6.3233; 9.6379 90; 90; 90	385.19	Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G. Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence. Journal of the American Chemical Society, 2019, 141, 17421-17430
4103703	CIF	Ba F4 Mn	C m c 21	4.237; 15.17; 6.0214 90; 90; 90	387	Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family Journal of the American Chemical Society, 2010, 132, 17684-17685
4103705	CIF	Ba F4 Ni	C m c 21	4.1591; 14.492; 5.8078 90; 90; 90	350.06	Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family Journal of the American Chemical Society, 2010, 132, 17684-17685
1010206	CIF	Ba F6 Ge	R -3 m :R	4.83; 4.83; 4.83 98.02; 98.02; 98.02	109	Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society, 1940, 62, 3126-3129
1010205	CIF	Ba F6 Si	R -3 m :R	4.75; 4.75; 4.75 97.97; 97.97; 97.97	103.7	Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society, 1940, 62, 3126-3129
4124844	CIF	Ba Fe O3	P m -3 m	4.02; 4.02; 4.02 90; 90; 90	64.965	Erchak, M.; Fankuchen, I.; Ward, R. Reaction between Ferric Oxide and Barium Carbonate in the Solid Phase. Identification of Phases by X-Ray Diffraction Journal of the American Chemical Society, 1946, 68, 2085-2093
4113918	CIF	Ba Fe2 Ho O5	P m m a	8.03183; 3.83589; 7.52198 90; 90; 90	231.746	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113920	CIF	Ba Fe2 Ho O5	P m m a	8.02258; 3.84893; 7.54252 90; 90; 90	232.901	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113922	CIF	Ba Fe2 Ho O5	P m m m	3.932787; 3.918529; 7.56186 90; 90; 90	116.534	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113924	CIF	Ba Fe2 Ho O5	P m m m	3.93355; 3.92896; 7.57777 90; 90; 90	117.113	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113926	CIF	Ba Fe2 Nd O5	P 21 m a	7.99949; 3.91587; 7.63343 90; 90; 90	239.117	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113929	CIF	Ba Fe2 Nd O5	P 21 m a	8.00318; 3.92013; 7.64047 90; 90; 90	239.708	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113932	CIF	Ba Fe2 Nd O5	P m m m	3.96584; 3.95339; 7.64046 90; 90; 90	119.791	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113934	CIF	Ba Fe2 Nd O5	P m m m	3.969451; 3.958035; 7.64849 90; 90; 90	120.167	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113937	CIF	Ba Fe2 Nd O5	P m m m	3.97079; 3.96456; 7.6583 90; 90; 90	120.56	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4113939	CIF	Ba Fe2 Nd O5	P m m m	3.97431; 3.96949; 7.66813 90; 90; 90	120.972	Patrick M. Woodward; Emmanuelle Suard; Pavel Karen Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5 Journal of the American Chemical Society, 2003, 125, 8889-8899
4107896	CIF HKL	Ba Fe2 O4	B b 21 m	18.99784; 5.38025; 8.43848 90; 90; 90	862.523	Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments Journal of the American Chemical Society, 2008, 130, 7570-7583
4124024	CIF	Ba Ga Ge H	P 3 m 1	4.3758; 4.3758; 5.2687 90; 90; 120	87.367	Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147
4124023	CIF	Ba Ga H Si	P 3 m 1	4.3015; 4.3015; 5.2703 90; 90; 120	84.451	Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147
4124025	CIF	Ba Ga H Sn	P 3 m 1	4.5914; 4.5914; 5.4257 90; 90; 120	99.055	Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147
4102830	CIF	Ba Ge5	P m n a	10.727; 9.2844; 14.794 90; 90; 90	1473.4	Umut Aydemir; Lev Akselrud; Wilder Carrillo-Cabrera; Christophe Candolfi; Niels Oeschler; Michael Baitinger; Frank Steglich; Yuri Grin BaGe5: A New Type of Intermetallic Clathrate Journal of the American Chemical Society, 2010, 132, 10984-10985
4125072	CIF	Ba Hg Se2	P m c 21	4.358; 14.881; 7.59 90; 90; 90	492.22	Li, Chao; Yin, Wenlong; Gong, Pifu; Li, Xiaoshuang; Zhou, Molin; Mar, Arthur; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian Trigonal Planar [HgSe3](4-) Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability. Journal of the American Chemical Society, 2016, 138, 6135-6138
4104569	CIF	Ba Hg2 Tl2	P 42/m n m	10.606; 10.606; 5.159 90; 90; 90	580.32	Jing-Cao Dai; Shalabh Gupta; Olivier Gourdon; Hyun-Jeong Kim; John D. Corbett BaHg2Tl2. An Unusual Polar Intermetallic Phase with Strong Differentiation between the Neighboring Elements Mercury and Thallium Journal of the American Chemical Society, 2009, 131, 8677-8682
4104570	CIF	Ba Hg2 Tl2	P 42/m n m	10.5933; 10.5933; 5.1594 90; 90; 90	578.98	Jing-Cao Dai; Shalabh Gupta; Olivier Gourdon; Hyun-Jeong Kim; John D. Corbett BaHg2Tl2. An Unusual Polar Intermetallic Phase with Strong Differentiation between the Neighboring Elements Mercury and Thallium Journal of the American Chemical Society, 2009, 131, 8677-8682
4104672	CIF	Ba I5 Nb O16	C 1 c 1	13.9886; 7.4843; 14.8896 90; 112.969; 90	1435.27	Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Ji-Bei Ling; Ting Hu; Fang Kong; Xi-Fa Long; Jiang-Gao Mao BaNbO(IO3)5: A New Polar Material with a Very Large SHG Response Journal of the American Chemical Society, 2009, 131, 9486-9487
4124002	CIF	Ba Ir O2.94	C 1 2/m 1	9.9554; 5.7434; 13.8049 90; 119.231; 90	688.819	Cheng Jinguang; Alonso, J.A.; Zhou Jianshi; Suard, E.; Goodenough, J.B. A new perovskite polytype in the high-pressure sequence of Ba Ir O3 Journal of the American Chemical Society, 2009, 131, 7461-7469
4124001	CIF	Ba Ir O3	C 1 2/m 1	10.0046; 5.75362; 15.1839 90; 103.27; 90	850.689	Cheng Jinguang; Alonso, J.A.; Suard, E.; Goodenough, J.B.; Zhou Jianshi A new perovskite polytype in the high-pressure sequence of Ba Ir O3 Journal of the American Chemical Society, 2009, 131, 7461-7469
4124003	CIF	Ba Ir O3	C 1 2/c 1	5.7483; 9.939; 14.3582 90; 91.319; 90	820.1	Cheng Jinguang; Alonso, J.A.; Zhou Jianshi; Suard, E.; Goodenough, J.B. A new perovskite polytype in the high-pressure sequence of Ba Ir O3 Journal of the American Chemical Society, 2009, 131, 7461-7469
4124004	CIF	Ba Ir O3	P m -3 m	4.0611; 4.0611; 4.0611 90; 90; 90	66.978	Cheng Jinguang; Alonso, J.A.; Suard, E.; Zhou Jianshi; Goodenough, J.B. A new perovskite polytype in the high-pressure sequence of Ba Ir O3 Journal of the American Chemical Society, 2009, 131, 7461-7469
4113867	CIF	Ba Mo2 O9 Te	P 1 21 1	5.5407; 7.4651; 8.8448 90; 90.841; 90	365.8	Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+) Journal of the American Chemical Society, 2003, 125, 7764-7765
4123984	CIF	Ba Ni S2	P 4/n m m :2	4.43; 4.43; 8.893 90; 90; 90	174.524	Grey, I.E.; Steinfink, H. Crystal structure and properties of barium nickel sulfide, a square-pyramidal nickel(II) compound Journal of the American Chemical Society, 1970, 92, 5093-5095
4124842	CIF	Ba O3 Ti	P m -3 m	4.0335; 4.0335; 4.0335 90; 90; 90	65.622	Edwards, J.W.; Speiser, R.; Johnston, H.L. Structure of Barium Titanate at Elevated Temperatures Journal of the American Chemical Society, 1951, 73, 2934-2935
4114760	CIF	Ba O7 Te3	P 1 21/n 1	10.2765; 5.251; 13.5499 90; 98.98; 90	722.22	Magnus G. Johnston; William T. A. Harrison Lone-Pair Self-Containment in Tellurite Tubes: Hydrothermal Syntheses and Structures of BaTe3O7 and BaTe4O9 Journal of the American Chemical Society, 2002, 124, 4576-4577
4113868	CIF	Ba O9 Te W2	P 1 21 1	5.49; 7.446; 8.887 90; 90.37; 90	363.3	Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+) Journal of the American Chemical Society, 2003, 125, 7764-7765
4114761	CIF	Ba O9 Te4	C 1 2/c 1	19.5354; 4.5099; 23.3021 90; 112.961; 90	1890.32	Magnus G. Johnston; William T. A. Harrison Lone-Pair Self-Containment in Tellurite Tubes: Hydrothermal Syntheses and Structures of BaTe3O7 and BaTe4O9 Journal of the American Chemical Society, 2002, 124, 4576-4577
4113101	CIF	Ba Pt	P 63/m m c	5.057; 5.057; 5.42 90; 90; 120	120.04	Andrey Karpov; Jürgen Nuss; Ulrich Wedig; Martin Jansen Covalently Bonded [Pt]-Chains in BaPt: Extension of the Zintl-Klemm Concept to Anionic Transition Metals? Journal of the American Chemical Society, 2004, 126, 14123-14128
4102184	CIF	Ba0.208 Co0.208 F0.042 O0.542	P 63/m m c	5.6995; 5.6995; 23.799 90; 90; 120	669.5	Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites Journal of the American Chemical Society, 2010, 132, 4865-4875
4107910	CIF HKL	Ba0.41 Ca0.39 Fe1.25 Nd0.45 O3.25	I m m a	5.56053; 38.7107; 5.58133 90; 90; 90	1201.39	Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments Journal of the American Chemical Society, 2008, 130, 7570-7583
4102185	CIF	Ba0.417 Co0.417 F0.083 O1.083	P 63/m m c	5.71; 5.71; 23.925 90; 90; 120	675.5	Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites Journal of the American Chemical Society, 2010, 132, 4865-4875
4134320	CIF	Ba0.5 F2 H O Te0.5	P m n 21	7.5013; 8.6517; 4.2142 90; 90; 90	273.5	Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv BaF<sub>2</sub>TeF<sub>2</sub>(OH)<sub>2</sub>: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering. Journal of the American Chemical Society, 2020
4118236	CIF	Ba0.8 Fe O2 Sr0.2	P 4/m m m	8.30167; 8.30167; 3.84632 90; 90; 90	265.08	Takafumi Yamamoto; Yoji Kobayashi; Naoaki Hayashi; Cédric Tassel; Takashi Saito; Shoji Yamanaka; Mikio Takano; Kenji Ohoyama; Yuichi Shimakawa; Kazuyoshi Yoshimura; Hiroshi Kageyama (Sr1-xBax)FeO2 (0.4 <=x<= 1): A New Oxygen-Deficient Perovskite Structure Journal of the American Chemical Society, 2012, 134, 11444-11454
4107895	CIF HKL	Ba0.81 Ca0.78 Fe2.5 Nd0.91 O6.43	I m m a	5.58392; 38.9909; 5.61065 90; 90; 90	1221.56	Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments Journal of the American Chemical Society, 2008, 130, 7570-7583
4107909	CIF HKL	Ba1.62 Ca1.56 Fe5 Nd1.82 O13	I 2 m b	5.56049; 38.71093; 5.58134 90; 90; 90	1201.39	Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments Journal of the American Chemical Society, 2008, 130, 7570-7583
4119283	CIF	Ba13.3 Ga36.4 Rb9.9 Sn99.6	F d -3 m :2	17.0367; 17.0367; 17.0367 90; 90; 90	4944.9	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119284	CIF	Ba14 Ga30.4 K2 Sn105.6	F d -3 m :2	17.0136; 17.0136; 17.0136 90; 90; 90	4924.8	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119285	CIF	Ba14 Ga30.4 K2 Sn105.6	F d -3 m :2	17.0235; 17.0235; 17.0235 90; 90; 90	4933.4	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119287	CIF	Ba14 Ga30.4 K2 Sn105.6	F d -3 m :2	17.049; 17.049; 17.049 90; 90; 90	4955.6	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119286	CIF	Ba15 Ga30.4 K2 Sn105.6	F d -3 m :2	17.0292; 17.0292; 17.0292 90; 90; 90	4938.4	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119279	CIF	Ba16 Cs8 Ga39.7 Sn96.3	F d -3 m :2	17.0113; 17.0113; 17.0113 90; 90; 90	4922.8	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119280	CIF	Ba16 Cs8 Ga39.7 Sn96.3	F d -3 m :2	17.0145; 17.0145; 17.0145 90; 90; 90	4925.6	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119281	CIF	Ba16 Cs8 Ga39.7 Sn96.3	F d -3 m :2	17.0283; 17.0283; 17.0283 90; 90; 90	4937.6	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119282	CIF	Ba16 Cs8 Ga39.7 Sn96.3	F d -3 m :2	17.0347; 17.0347; 17.0347 90; 90; 90	4943.1	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4119288	CIF	Ba16 Ga32.1 Na0 Sn103.9	F d -3 m :2	16.9963; 16.9963; 16.9963 90; 90; 90	4909.8	Marion C. Schäfer; Svilen Bobev Tin Clathrates with the Type II Structure Journal of the American Chemical Society, 2013, 135, 1696-1699
4114707	CIF	Ba16 Na204 Sn309.48	F -4 3 m	25.1998; 25.1998; 25.1998 90; 90; 90	16002.6	Svilen Bobev; Slavi C. Sevov Naked Clusters of 56 Tin Atoms in the Solid State Journal of the American Chemical Society, 2002, 124, 3359-3365
4114709	CIF	Ba16 Na204 Sn309.5	F -4 3 m	25.2029; 25.2029; 25.2029 90; 90; 90	16008.5	Svilen Bobev; Slavi C. Sevov Naked Clusters of 56 Tin Atoms in the Solid State Journal of the American Chemical Society, 2002, 124, 3359-3365
4114706	CIF	Ba16 Na204 Sn309.95	F -4 3 m	25.2041; 25.2041; 25.2041 90; 90; 90	16010.8	Svilen Bobev; Slavi C. Sevov Naked Clusters of 56 Tin Atoms in the Solid State Journal of the American Chemical Society, 2002, 124, 3359-3365
4114708	CIF	Ba16 Na204 Sn322.38	F -4 3 m	25.0534; 25.0534; 25.0534 90; 90; 90	15725.3	Svilen Bobev; Slavi C. Sevov Naked Clusters of 56 Tin Atoms in the Solid State Journal of the American Chemical Society, 2002, 124, 3359-3365
4106492	CIF	Ba19 Cl12.54 N61.46 O10.54 P36	F m -3 c	26.8541; 26.8541; 26.8541 90; 90; 90	19365.6	Stefan J. Sedlmaier; Markus Döblinger; Oliver Oeckler; Johannes Weber; Jörn Schmedt auf der Günne; Wolfgang Schnick Unprecedented Zeolite-Like Framework Topology Constructed from Cages with 3-Rings in a Barium Oxonitridophosphate Journal of the American Chemical Society, 2011, 133, 12069-12078
4107935	CIF	Ba2 F2 Fe2 O S2	I 4/m m m	4.12377; 4.12377; 19.0885 90; 90; 90	324.609	Houria Kabbour; Etienne Janod; Benoît Corraze; Michel Danot; Changhoon Lee; Myung-Hwan Whangbo; Laurent Cario Structure and Magnetic Properties of Oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice Journal of the American Chemical Society, 2008, 130, 8261-8270
4107933	CIF	Ba2 F2 Fe2 O Se2	I 4/m m m	4.1946; 4.1946; 19.522 90; 90; 90	343.48	Houria Kabbour; Etienne Janod; Benoît Corraze; Michel Danot; Changhoon Lee; Myung-Hwan Whangbo; Laurent Cario Structure and Magnetic Properties of Oxychalcogenides A~2~F~2~Fe~2~OQ~2 (A = Sr, Ba; Q = S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice Journal of the American Chemical Society, 2008, 130, 8261-8270
4124486	CIF	Ba2 N O3 V	P n m a	7.70736; 5.92871; 10.50584 90; 90; 90	480.061	Clarke, S.J.; Puyet, M.; Chalker, P.R.; Holman, J.; Michie, C.W.; Rosseinsky, M.J. A first transition series pseudotetrahedral oxynitride anion: synthesis and characterization of Ba2 V O3 N Journal of the American Chemical Society, 2002, 124, 3337-3342
4116209	CIF	Ba2 Ni Si3	P -6 2 m	11.392; 11.392; 3.938 90; 90; 120	442.6	Joanna Goodey; Jianggao Mao; Arnold M. Guloy Ba2NiSi3: A One-Dimensional Solid-State Metallocene Analog Journal of the American Chemical Society, 2000, 122, 10478-10479
4121993	CIF	Ba2 O15 P5 Rb	P 1 c 1	8.6814; 7.3122; 13.837 90; 128.498; 90	687.44	Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units. Journal of the American Chemical Society, 2014, 136, 8560-8563
4128550	CIF	Ba2 P6 Si3	P n a 21	9.6272; 9.1437; 11.9261 90; 90; 90	1049.83	Mark, Justin; Wang, Jian; Wu, Kui; Lo, Jeane Gladys; Lee, Shannon; Kovnir, Kirill Ba<sub>2</sub>Si<sub>3</sub>P<sub>6</sub>: 1D Nonlinear Optical Material with Thermal Barrier Chains. Journal of the American Chemical Society, 2019, 141, 11976-11983
4117781	CIF	Ba23 Ga8 S38 Sb2	C m c 21	9.611; 32.246; 12.883 90; 90; 90	3993	Mei-Chun Chen; Li-Ming Wu; Hua Lin; Liu-Jiang Zhou; Ling Chen Disconnection Enhances the Second Harmonic Generation Response: Synthesis and Characterization of Ba23Ga8Sb2S38 Journal of the American Chemical Society, 2012, 134, 6058-6060
4117481	CIF HKL	Ba3 Bi Ir2 O9	C 1 2/c 1	5.94197; 10.24152; 14.97189 90; 92.3182; 90	910.366	Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9 Journal of the American Chemical Society, 2012, 134, 3265-3270
4117483	CIF HKL	Ba3 Bi Ir2 O9	C 1 2/c 1	5.94251; 10.24416; 14.972 90; 92.2969; 90	910.704	Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9 Journal of the American Chemical Society, 2012, 134, 3265-3270
4117484	CIF HKL	Ba3 Bi Ir2 O9	C 1 2/c 1	5.93816; 10.24207; 14.85187 90; 92.2902; 90	902.555	Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9 Journal of the American Chemical Society, 2012, 134, 3265-3270
4120695	CIF	Ba3 Br O10 P3	P 21 21 21	7.1722; 11.364; 13.998 90; 90; 90	1140.9	Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br). Journal of the American Chemical Society, 2014, 136, 480-487
4120694	CIF	Ba3 Cl O10 P3	P c a 21	14.2771; 5.5968; 14.1592 90; 90; 90	1131.41	Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br). Journal of the American Chemical Society, 2014, 136, 480-487
4117365	CIF	Ba3 Cl2 Cs Ga5 Se10	I -4	8.7348; 8.7348; 15.697 90; 90; 90	1197.6	Peng Yu; Liu-Jiang Zhou; Ling Chen Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K) Journal of the American Chemical Society, 2012, 134, 2227-2235
4117367	CIF	Ba3 Cl2 Ga5 K Se10	I -4	8.6341; 8.6341; 15.644 90; 90; 90	1166.2	Peng Yu; Liu-Jiang Zhou; Ling Chen Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K) Journal of the American Chemical Society, 2012, 134, 2227-2235
4117366	CIF	Ba3 Cl2 Ga5 Rb Se10	I -4	8.6629; 8.6629; 15.6379 90; 90; 90	1173.56	Peng Yu; Liu-Jiang Zhou; Ling Chen Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K) Journal of the American Chemical Society, 2012, 134, 2227-2235
4115315	CIF	Ba3 Li O9 Ru2	P 63/m m c	5.782; 5.782; 14.149 90; 90; 120	409.65	Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition Journal of the American Chemical Society, 2002, 124, 13877-13885
4115316	CIF	Ba3 Na O9 Ru2	P 63/m m c	5.8729; 5.8729; 14.4676 90; 90; 120	432.15	Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition Journal of the American Chemical Society, 2002, 124, 13877-13885
4115317	CIF	Ba3 Na O9 Ru2	C m c m	11.7282; 20.3541; 14.4856 90; 90; 90	3458	Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition Journal of the American Chemical Society, 2002, 124, 13877-13885
4125022	CIF	Ba3 O14 P2 Te Zn3	P 3 2 1	8.4744; 8.4744; 5.2818 90; 90; 120	328.5	Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989
4121994	CIF	Ba3 O14 P4 Rb2	P 21 21 21	8.9487; 9.4087; 18.4277 90; 90; 90	1551.53	Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units. Journal of the American Chemical Society, 2014, 136, 8560-8563
4124646	CIF	Ba3 O9 Sr Ta2	P -3 m 1	5.95; 5.95; 7.47 90; 90; 120	229.026	Galasso, F.; Katz, L.; Barrante, J.R. Alkaline earth-tantalum-oxygen phases including the crystal structure of an ordered perovskite compound, Ba3 Sr Ta2 O9 Journal of the American Chemical Society, 1961, 83, 2830-2832
4105679	CIF	Ba4 Co2 Cu3.89 O4 S4	I 4/m m m	4.0711; 4.0711; 18.9094 90; 90; 90	313.402	Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society, 2011, 133, 2691-2705
4124776	CIF	Ba8 Fe8 O21	F m -3 m	8.05; 8.05; 8.05 90; 90; 90	521.66	Erchak, M.; Ward, R.; Fankuchen, I. Reaction between Ferric Oxide and Barium Carbonate in the Solid Phase. Identification of Phases by X-Ray Diffraction Journal of the American Chemical Society, 1946, 68, 2085-2093
4124475	CIF	Be Cl15 K3 Zr6	C 1 2/c 1	16.372; 11.396; 14.071 90; 92.74; 90	2622.3	Ziebarth, R.P.; Corbett, J.D. Cluster Framework Structures and Relationships. Two Compounds with a New Connectivity, K2 Zr6 Cl15 B and K3 Zr6 Cl15 Be Journal of the American Chemical Society, 1988, 110, 1132-1139
4124122	CIF	Be Cl2	I -4 3 m	19.79146; 19.79146; 19.79146 90; 90; 90	7752.35	Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087
4124123	CIF	Be Cl2	P 32	11.51593; 11.51593; 8.400845 90; 90; 120	964.832	Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087
4124124	CIF	Be Cl2	P -4 3 n	9.845269; 9.845269; 9.845269 90; 90; 90	954.295	Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087
4124119	CIF	Be F2	C 1 2/c 1	6.97192; 12.02685; 6.96194 90; 120.02; 90	505.449	Zwijnenburg, M.A.; Bell, R.G.; Cora, F. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087
4124120	CIF	Be F2	P -4 3 n	8.529749; 8.529749; 8.529749 90; 90; 90	620.596	Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087
4124121	CIF	Be F2	R -3 m :H	13.1285; 13.1285; 14.42939 90; 90; 120	2153.82	Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087
4103451	CIF	Be H2 K2 O8 Si4	C 1 c 1	12.1773; 7.0903; 12.8804 90; 104.209; 90	1078.08	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4103445	CIF	Be Na2 O14 Si5	I -4 3 d	13.3184; 13.3184; 13.3184 90; 90; 90	2362.41	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4103444	CIF	Be0.25 K0.5 O3.75 Si	C 2 2 21	9.6631; 12.2031; 9.9913 90; 90; 90	1178.17	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4103446	CIF	Be12 Na4 O4 Si4	I -4	9.8276; 9.8276; 9.6372 90; 90; 90	930.78	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4113113	CIF	Be13 Ce	F m -3 c	10.376; 10.376; 10.376 90; 90; 90	1117.1	Zakiya S. Wilson; Robin T. Macaluso; E. D. Bauer; J. L. Smith; J. D. Thompson; Z. Fisk; George G. Stanley; Julia Y. Chan Rare Beryllium Icosahedra in the Intermediate Valence Compound CeBe13 Journal of the American Chemical Society, 2004, 126, 13926-13927
4103443	CIF	Be2 Na5 O57 Si18	P 21 21 2	9.6889; 10.0184; 11.8966 90; 90; 90	1154.77	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4103943	CIF	Bi Cs5 P4 Se12	P m c 21	7.5357; 13.7783; 28.0807 90; 90; 90	2915.59	In Chung; Jung-Hwan Song; Joon I. Jang; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation Journal of the American Chemical Society, 2009, 131, 2647-2656
4126512	CIF	Bi Cu2 H3 O10 S Te	P 1 21/c 1	9.591; 6.323; 15.092 90; 115.38; 90	826.9	Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering. Journal of the American Chemical Society, 2017
4126511	CIF	Bi Cu2 O10 S Se	P 1 21/c 1	9.467; 6.3083; 14.775 90; 115.242; 90	798.1	Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering. Journal of the American Chemical Society, 2017
4110814	CIF	Bi Cu2 O6 P0.32 V0.68	P n m a	11.884; 5.237; 7.808 90; 90; 90	485.9	Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems Journal of the American Chemical Society, 2006, 128, 10857-10867
4110815	CIF	Bi Cu2 O6 P0.4 V0.6	P n m a	11.9736; 5.28702; 7.80964 90; 90; 90	494.387	Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems Journal of the American Chemical Society, 2006, 128, 10857-10867
4106584	CIF	Bi I O4	P c a 21	5.6584; 11.0386; 5.7476 90; 90; 90	359	Sau Doan Nguyen; Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response Journal of the American Chemical Society, 2011, 133, 12422-12425
4123920	CIF	Bi K P2 Se6	P 1 21 1	6.9183; 7.663; 10.239 90; 91.508; 90	542.632	Breshears, J.D.; Kanatzidis, M.G. beta-(K M P2 Se6) (M = Sb, Bi): kinetically accessible phases obtained from rapid crystallisation of amorphous precursors Journal of the American Chemical Society, 2000, 122, 7839-7840
4123993	CIF	Bi O3 Sc	C 1 2 1	9.8906; 5.8222; 10.0467 90; 108.303; 90	549.271	Belik, A.A.; Shamoto, S.; Kodama, K.; Igawa, N.; Iikubo, S.; Takayama-Muromachi, E.; Maie, M.; Matsui, Y.; Stefanovich, S.Yu.; Nagai, T.; Lazoryak, B.I. Bi Sc O3: Centrosymmetric Bi Mn O3-type oxide Journal of the American Chemical Society, 2006, 128, 706-707
4117463	CIF HKL	Bi0.04 Na0.14 O2 Si	F d -3 m :2	24.60237; 24.60237; 24.60237 90; 90; 90	14891.2	Hong-Tao Sun; Yoshitaka Matsushita; Yoshio Sakka; Naoto Shirahata; Masahiko Tanaka; Yoshio Katsuya; Hong Gao; Keisuke Kobayashi Synchrotron X-ray, Photoluminescence, and Quantum Chemistry Studies of Bismuth-Embedded Dehydrated Zeolite Y Journal of the American Chemical Society, 2012, 134, 2918-2921
4133771	CIF	Bi1.07 Co3.5 K3.44 Li0.67 O131.08 P5 W30	C m m a	21.6852; 79.711; 26.2481 90; 90; 90	45371	Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M. Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters. Journal of the American Chemical Society, 2019
4116198	CIF	Bi2 Cs3	C 1 2/c 1	10.078; 10.3207; 10.145 90; 105.21; 90	1018.24	Franck Gascoin; Slavi C. Sevov Synthesis and Characterization of A3Bi2 (A = K, Rb, Cs) with Isolated Diatomic Dianion of Bismuth, [Bi2]2-, and an Extra Delocalized Electron Journal of the American Chemical Society, 2000, 122, 10251-10252
4116776	CIF	Bi2 H102 Mn2 N4 Na6 O113 W20	P 1 21/n 1	12.85; 25.1; 16.02 90; 95.08; 90	5146.7	Michael Bösing; Andreas Nöh; Ina Loose; Bernt Krebs Highly Efficient Catalysts in Directed Oxygen-Transfer Processes: Synthesis, Structures of Novel Manganese-Containing Heteropolyanions, and Applications in Regioselective Epoxidation of Dienes with Hydrogen Peroxide Journal of the American Chemical Society, 1998, 120, 7252-7259
4118540	CIF	Bi2 Mn Se4	C 1 2/m 1	13.319; 4.0703; 15.179 90; 115.49; 90	742.8	Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions Journal of the American Chemical Society, 2012, 134, 14033-14042
4135458	CIF	Bi2 Mo	I 4/m c m	6.4155; 6.4155; 5.488 90; 90; 90	225.88	Altman, Alison B.; Tamerius, Alexandra D.; Koocher, Nathan Z.; Meng, Yue; Pickard, Chris J.; Walsh, James P. S.; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E. Computationally Directed Discovery of MoBi2 Journal of the American Chemical Society, 2020
4126030	CIF	Bi2.17 Cd1.83 K1.83 S6	C m c m	3.9986; 6.92; 23.184 90; 90; 90	641.5	Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G. The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials. Journal of the American Chemical Society, 2017
4126031	CIF	Bi2.46 Cd1.54 Rb1.53 S6	C m c m	3.9968; 6.9243; 23.7 90; 90; 90	655.9	Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G. The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials. Journal of the American Chemical Society, 2017
4127955	CIF	Bi2.72 Cs1.03 Mn1.28 S6	P 63/m m c	3.9548; 3.9548; 24.0993 90; 90; 120	326.43	Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G. K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor. Journal of the American Chemical Society, 2019, 141, 16903-16914
4127957	CIF	Bi2.72 K1.28 Mn1.28 S6	P 63/m m c	3.9521; 3.9521; 23.0937 90; 90; 120	312.38	Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G. K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor. Journal of the American Chemical Society, 2019, 141, 16903-16914
4127956	CIF	Bi2.72 Mn1.28 Rb0.88 S6	P 63/m m c	3.95293; 3.95293; 23.5976 90; 90; 120	319.33	Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G. K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor. Journal of the American Chemical Society, 2019, 141, 16903-16914
4127958	CIF	Bi2.72 Mn1.28 S6 Zn0.64	P 63/m m c	3.94702; 3.94702; 23.4271 90; 90; 120	316.07	Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G. K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor. Journal of the American Chemical Society, 2019, 141, 16903-16914
4103008	CIF	Bi3 Mn3 O10.5	P n -3 :2	9.11919; 9.11919; 9.11919 90; 90; 90	758.348	Alexei A. Belik; Eiji Takayama-Muromachi Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism Journal of the American Chemical Society, 2010, 132, 12426-12432
4103009	CIF	Bi3 Mn3 O11.6	P n -3 :2	9.11151; 9.11151; 9.11151 90; 90; 90	756.434	Alexei A. Belik; Eiji Takayama-Muromachi Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism Journal of the American Chemical Society, 2010, 132, 12426-12432
4119563	CIF	Bi3 O2 S3	I 4/m m m	3.967213; 3.967213; 41.2847 90; 90; 90	649.771	W. Adam Phelan; David C. Wallace; Kathryn E. Arpino; James R. Neilson; Kenneth J. Livi; Che R. Seabourne; Andrew J. Scott; Tyrel M. McQueen Stacking Variants and Superconductivity in the Bi-O-S System Journal of the American Chemical Society, 2013, 135, 5372-5374
4114683	CIF	Bi3.09 Cs0.91 Pb1.91 Te7	C m c m	4.3456; 32.476; 12.5075 90; 90; 90	1765.2	Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures Journal of the American Chemical Society, 2002, 124, 2410-2411
4114685	CIF	Bi3.12 Cs0.88 Sn1.88 Te7	C m c m	4.3881; 33.139; 12.6075 90; 90; 90	1833.3	Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures Journal of the American Chemical Society, 2002, 124, 2410-2411
4114682	CIF	Bi3.15 Cs0.85 Pb0.85 Te6	C m c m	6.3322; 28.667; 4.3637 90; 90; 90	792.12	Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures Journal of the American Chemical Society, 2002, 124, 2410-2411
4114684	CIF	Bi3.16 Cs0.84 Sn0.84 Te6	C m c m	6.2613; 28.479; 4.3207 90; 90; 90	770.45	Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures Journal of the American Chemical Society, 2002, 124, 2410-2411
4112588	CIF	Bi4 Cs Te6	C 1 2/m 1	51.9205; 4.4025; 14.5118 90; 101.48; 90	3250.75	Duck-Young Chung; Tim P. Hogan; Melissa Rocci-Lane; Paul Brazis; John R. Ireland; Carl R. Kannewurf; Marina Bastea; Ctirad Uher; Mercouri G. Kanatzidis A New Thermoelectric Material: CsBi4Te6 Journal of the American Chemical Society, 2004, 126, 6414-6428
4123274	CIF	Bi4 Fe2 Se8	C 1 2/m 1	13.372; 4.1277; 15.072 90; 115.046; 90	753.68	Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P. Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4. Journal of the American Chemical Society, 2015, 137, 691-698
4123275	CIF	Bi4 Fe2 Se8	C 1 2/m 1	13.2972; 4.1037; 15.038 90; 114.931; 90	744.12	Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P. Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4. Journal of the American Chemical Society, 2015, 137, 691-698
4123276	CIF	Bi4 Fe2 Se8	C 1 2/m 1	13.3533; 4.1171; 15.0687 90; 115.037; 90	750.59	Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P. Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4. Journal of the American Chemical Society, 2015, 137, 691-698
4118541	CIF	Bi4 Mn2 Se8	C 1 2/m 1	13.384; 4.0925; 15.224 90; 115.54; 90	752.4	Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions Journal of the American Chemical Society, 2012, 134, 14033-14042
4100269	CIF	Bi4 Mn2.7 Ni1.3 O12	P n 21 m	5.4939; 11.115; 15.503 90; 90; 90	946.7	Journal of the American Chemical Society, 2005
4126032	CIF	Bi5.74 Cd2.26 Cs2.27 Se12	C m c m	4.1363; 7.1476; 25.047 90; 90; 90	740.5	Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G. The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials. Journal of the American Chemical Society, 2017
4126648	CIF	Bi8 Cl0.64 Cu3.46 O8 Se5.36	I 4/m m m	3.8979; 3.8979; 29.8291 90; 90; 90	453.21	Gibson, Quinn D.; Dyer, Matthew S.; Whitehead, George F. S.; Alaria, Jonathan; Pitcher, Michael J.; Edwards, Holly J.; Claridge, John B.; Zanella, Marco; Dawson, Karl; Manning, Troy D.; Dhanak, Vin R.; Rosseinsky, Matthew J. Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion. Journal of the American Chemical Society, 2017
4115838	CIF	Bi8 I Ni8 S	P 4	9.774; 9.774; 4.197 90; 90; 90	400.94	Alexey I. Baranov; Lars A. Kloo; Andrei V. Olenev; Boris A. Popovkin; Anatolii I. Romanenko; Andrei V. Shevelkov Unique Metallic Wires in a Novel Quasi-1D Compound. Synthesis, Crystal and Electronic Structure, and Properties of Ni8Bi8SI Journal of the American Chemical Society, 2001, 123, 12375-12379
4118542	CIF	Bi8 Mn Se16 Sn3	C 1 2/m 1	13.493; 4.126; 15.322 90; 115.52; 90	769.8	Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions Journal of the American Chemical Society, 2012, 134, 14033-14042
4109760	CIF	Bi9 Ca9 Cd4.06	P b a m	22.499; 12.7079; 4.7229 90; 90; 90	1350.3	Sheng-qing Xia; Svilen Bobev Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi Journal of the American Chemical Society, 2007, 129, 10011-10018
4109765	CIF	Bi9 Ca9 Zn4.09	P b a m	22.0688; 12.5898; 4.6336 90; 90; 90	1287.41	Sheng-qing Xia; Svilen Bobev Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi Journal of the American Chemical Society, 2007, 129, 10011-10018
4109761	CIF	Bi9 Cd4 Yb9	P b a m	22.426; 12.629; 4.72 90; 90; 90	1336.8	Sheng-qing Xia; Svilen Bobev Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi Journal of the American Chemical Society, 2007, 129, 10011-10018
4109763	CIF	Bi9 Cd4.21 Eu9	P b a m	23.1615; 13.0114; 4.8588 90; 90; 90	1464.27	Sheng-qing Xia; Svilen Bobev Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi Journal of the American Chemical Society, 2007, 129, 10011-10018
4109762	CIF	Bi9 Cd4.27 Sr9	P b a m	23.402; 13.186; 4.8906 90; 90; 90	1509.1	Sheng-qing Xia; Svilen Bobev Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi Journal of the American Chemical Society, 2007, 129, 10011-10018
4115854	CIF	Bi9 Yb9 Zn4	P b a m	12.5705; 22.028; 4.6401 90; 90; 90	1284.9	Sung-Jin Kim; Jim Salvador; Daniel Bilc; S. D. Mahanti; Mercouri G. Kanatzidis Yb9Zn4Bi9: Extension of the Zintl Concept to the Mixed-Valent Spectator Cations Journal of the American Chemical Society, 2001, 123, 12704-12705
4109764	CIF	Bi9 Yb9 Zn4.03	P b a m	21.997; 12.5243; 4.6283 90; 90; 90	1275.1	Sheng-qing Xia; Svilen Bobev Interplay between Size and Electronic Effects in Determining the Homogeneity Range of the A9Zn4+xPn9 and A9Cd4+xPn9 Phases (0 <=x<= 0.5), A = Ca, Sr, Yb, Eu; Pn = Sb, Bi Journal of the American Chemical Society, 2007, 129, 10011-10018
4126399	CIF	Bk I4 O12	P 4/n	8.5604; 8.5604; 7.5746 90; 90; 90	555.07	Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate. Journal of the American Chemical Society, 2017
4126398	CIF	Bk2 I6 O18	P 1 21/n 1	8.7475; 5.9029; 15.0832 90; 96.8723; 90	773.23	Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate. Journal of the American Chemical Society, 2017
1010096	CIF	Br	C m c a	16.67; 4.48; 8.72 90; 90; 90	651.2	Vonnegut, B; Warren, B E The Structure of Crystalline Bromine Journal of the American Chemical Society, 1936, 58, 2459-2461
4101395	CIF	Br Cl Fe2 O10 Te4	P 1 21/c 1	13.2722; 6.5965; 14.2351 90; 108.02; 90	1185.15	Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron. Journal of the American Chemical Society, 2006, 128, 15469-15475
1010076	CIF	Br Cu	F -4 3 m	5.82; 5.82; 5.82 90; 90; 90	197.1	Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society, 1922, 44, 30-36
1008127	CIF	Br D4 N	P -4 3 m	4; 4; 4 90; 90; 90	64	Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542
1008128	CIF	Br D4 N	P m -3 m	4.06; 4.06; 4.06 90; 90; 90	66.9	Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542
1008129	CIF	Br D4 N	P 4/n m m :1	5.826; 5.826; 4.136 90; 90; 90	140.4	Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542
1008920	CIF	Br D4 N	F m -3 m	6.9; 6.9; 6.9 90; 90; 90	328.5	Levy, H A; Peterson, S W Neutron diffraction determination of the crystal structure of ammonium bromide in four phases Journal of the American Chemical Society, 1953, 75, 1536-1542
4122207	CIF	Br F3 N2 O5	C 1 2/c 1	9.892; 12.862; 10.141 90; 105.381; 90	1244	Lehmann, John F.; Schrobilgen, Gary J. Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species. Journal of the American Chemical Society, 2005, 127, 9416-9427
4124320	CIF	Br H14 K4 O23 P8 Pt2	P 4/m b m	13.131; 13.131; 8.139 90; 90; 90	1403.35	Butler, L.G.; Zietlow, M.H.; Clark, R.J.H.; Gray, H.B.; Che, C.; Grunthaner, P.J.; Sridhar, S.; Schaefer, W.P.; Swanson, B.I. Translational Symmetries in the Linear-Chain Semiconductors K4 (Pt2 (P2 O5 H2)4 X) * n(H2 O) (X = Cl, Br, I) Journal of the American Chemical Society, 1988, 110, 1155-1162
1010074	CIF	Br H4 N	F m -3 m	6.9; 6.9; 6.9 90; 90; 90	328.5	Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society, 1921, 43, 84-91
1011300	CIF	Br H4 N	P m -3 m	3.988; 3.988; 3.988 90; 90; 90	63.4	Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91
1010378	CIF	Br Na O3	P 21 3	6.71; 6.71; 6.71 90; 90; 90	302.1	Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society, 1921, 43, 2045-2055
4117065	CIF	Br1.89 H17.2 O8.6	P 42/m n m	23.0436; 23.0436; 12.0745 90; 90; 90	6411.7	Konstantin A. Udachin; Gary D. Enright; Christopher I. Ratcliffe; John A. Ripmeester Structure, Stoichiometry, and Morphology of Bromine Hydrate Journal of the American Chemical Society, 1997, 119, 11481-11486
4121641	CIF	Br2 Cd I2 Rb2	A m a 2	11.764; 12.025; 8.446 90; 90; 90	1194.8	Wu, Qi; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui Rb2CdBr2I2: A New IR Nonlinear Optical Material with a Large Laser Damage Threshold. Journal of the American Chemical Society, 2014, 136, 5683
4126915	CIF	Br2 Cs4 O83 S8 Ti12	P -1	13.5076; 16.1427; 21.3336 69.897; 72.364; 67.624	3959.3	Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng Titanium-Oxide Host Clusters with Exchangeable Guests. Journal of the American Chemical Society, 2017
4101394	CIF	Br2 Fe2 O10 Te4	P 1 21/c 1	13.3964; 6.5966; 14.2897 90; 108.118; 90	1200.18	Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron. Journal of the American Chemical Society, 2006, 128, 15469-15475
1010855	CIF	Br2 H18 N6 Ni		10.48; 10.48; 10.48 90; 90; 90	1151	Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245
1011077	CIF	Br2 Hg2	P 42/m n m	4.66; 4.66; 11.12 90; 90; 90	241.5	Havighurst, R J Parameters in crystal structure. The mercurouos halides Journal of the American Chemical Society, 1926, 48, 2113-2131
1010204	CIF	Br3 H18 Nd O18	P 63 m c	11.73; 11.73; 6.76 90; 90; 120	805.5	Helmholz, L The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~ Journal of the American Chemical Society, 1939, 61, 1544-1550
4133380	CIF	Br3 Mo3 S10	P 1 21/c 1	24.246; 15.3192; 24.56 90; 119.55; 90	7936	Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M. Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution. Journal of the American Chemical Society, 2018, 140, 13618-13622
4103825	CIF	Br3 Tc	P m m n :2	11.0618; 5.9755; 6.3873 90; 90; 90	422.2	Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4 Journal of the American Chemical Society, 2009, 131, 910-911
4123936	CIF	Br4 Cs2 Re6 Se8	P 1 21/n 1	6.544; 18.687; 9.263 90; 104.26; 90	1097.85	Long, J.R.; Holm, R.H.; McCarty, L.S. A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction Journal of the American Chemical Society, 1996, 118, 4603-4616
4103826	CIF	Br4 Tc	P b c a	6.3237; 12.1777; 14.7397 90; 90; 90	1135.08	Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4 Journal of the American Chemical Society, 2009, 131, 910-911
4124686	CIF	Br6 K2 Re	F m -3 m	10.445; 10.445; 10.445 90; 90; 90	1139.53	Templeton, D.H.; Dauben, C.H. The crystal structure of potassium bromorhenate(IV) Journal of the American Chemical Society, 1951, 73, 4492-4493
4123934	CIF	Br7 Cs5 Re6 S8	R -3 c :H	9.957; 9.957; 54.55 90; 90; 120	4683.63	Long, J.R.; McCarty, L.S.; Holm, R.H. A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction Journal of the American Chemical Society, 1996, 118, 4603-4616
9012289	CIF	C	F d -3 m :1	3.56669; 3.56669; 3.56669 90; 90; 90	45.373	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012290	CIF	C	F d -3 m :1	3.56672; 3.56672; 3.56672 90; 90; 90	45.374	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012291	CIF	C	F d -3 m :1	3.56678; 3.56678; 3.56678 90; 90; 90	45.376	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012292	CIF	C	F d -3 m :1	3.56684; 3.56684; 3.56684 90; 90; 90	45.379	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012293	CIF	C	F d -3 m :1	3.5669; 3.5669; 3.5669 90; 90; 90	45.381	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646
9012294	CIF	C	F d -3 m :1	3.5667; 3.5667; 3.5667 90; 90; 90	45.373	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012295	CIF	C	F d -3 m :1	3.56674; 3.56674; 3.56674 90; 90; 90	45.375	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012296	CIF	C	F d -3 m :1	3.56675; 3.56675; 3.56675 90; 90; 90	45.375	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012297	CIF	C	F d -3 m :1	3.56683; 3.56683; 3.56683 90; 90; 90	45.378	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012298	CIF	C	F d -3 m :1	3.56689; 3.56689; 3.56689 90; 90; 90	45.38	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012299	CIF	C	F d -3 m :1	3.5668; 3.5668; 3.5668 90; 90; 90	45.377	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012300	CIF	C	F d -3 m :1	3.5668; 3.5668; 3.5668 90; 90; 90	45.377	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012301	CIF	C	F d -3 m :1	3.56684; 3.56684; 3.56684 90; 90; 90	45.379	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012302	CIF	C	F d -3 m :1	3.56689; 3.56689; 3.56689 90; 90; 90	45.38	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012303	CIF	C	F d -3 m :1	3.567; 3.567; 3.567 90; 90; 90	45.385	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646
9012305	CIF	C	F d -3 m :1	3.56678; 3.56678; 3.56678 90; 90; 90	45.376	Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2 Journal of the American Chemical Society, 1951, 73, 5643-5646
4124637	CIF	C Ag K O3	I b c a	20.23; 5.75; 5.95 90; 90; 90	692.119	Donohue, J.; Helmholz, L. The crystal structure of potassium silver carbonate, K Ag C O3 Journal of the American Chemical Society, 1944, 66, 295-298
4110963	CIF	C Al Cl4 Cu O	P -1	6.8752; 7.0092; 8.7362 81.798; 69.646; 85.723	390.53	Michael D. Capracotta; Roger M. Sullivan; James D. Martin Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene Journal of the American Chemical Society, 2006, 128, 13463-13473
4104920	CIF	C Al O Sc	R -3 m :H	3.2599; 3.2599; 30.116 90; 90; 120	277.16	Melanie Schroeder; Harald Hillebrecht Synthesis, Structure, Bonding, and Properties of the Oxide Carbide ScAlOC, a New Type of Compound Journal of the American Chemical Society, 2009, 131, 12172-12179
4124697	CIF	C B4	R -3 m :H	5.6; 5.6; 12.12 90; 90; 120	329.162	Clark, H.K.; Hoard, J.L. The crystal structure of boron carbide Journal of the American Chemical Society, 1943, 65, 2115-2119
4112513	CIF	C Br3 Cl F31 O8 S Sb Te6	P 1 21/n 1	18.617; 9.935; 19.129 90; 90.781; 90	3538	Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5) Journal of the American Chemical Society, 2004, 126, 5533-5548
4114173	CIF	C Br4	C 1 2/c 1	21.086; 11.8827; 20.674 90; 111.38; 90	4823.6	Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons Journal of the American Chemical Society, 2003, 125, 11597-11606
4107202	CIF	C Ca Cs F O3	P -6 2 m	9.2999; 9.2999; 4.54 90; 90; 120	340.05	Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007
4107198	CIF	C Ca F K O3	P -6 m 2	5.0968; 5.0968; 4.4553 90; 90; 120	100.23	Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007
4107200	CIF	C Ca F O3 Rb	P -6 2 m	9.1979; 9.1979; 4.4463 90; 90; 120	325.77	Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007
4124626	CIF	C Ca N2	R -3 m :R	5.4; 5.4; 5.4 39.92; 39.92; 39.92	58.417	Bredig, M.A. The crystal structure of calcium cyanamide Journal of the American Chemical Society, 1942, 64, 1730-1731
1010928	CIF	C Ca O3	R -3 c RS	6.36; 6.36; 6.36 46.1; 46.1; 46.1	121.9	Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society, 1937, 59, 1380-1382
4124474	CIF	C Cl15 K Zr6	P m m a	18.489; 13.909; 9.69 90; 90; 90	2491.91	Ziebarth, R.P.; Corbett, J.D. Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds K Zr6 C15 C and Cs K Zr6 Cl15 B Journal of the American Chemical Society, 1987, 109, 4844-4850
4112515	CIF	C Cl3 F30 O6 Sb Te6	P -1	8.7059; 9.181; 9.862 104.111; 103.507; 98.851	724.5	Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5) Journal of the American Chemical Society, 2004, 126, 5533-5548
4112514	CIF	C Cl3 F48 O15 S3 Sb Te9	P -1	10.082; 10.95; 24.572 83.482; 81.679; 70.019	2516.6	Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5) Journal of the American Chemical Society, 2004, 126, 5533-5548
4110965	CIF HKL	C Cl4 Cu Ga O	P -1	6.8769; 7.0155; 8.7594 80.998; 69.454; 85.731	390.75	Michael D. Capracotta; Roger M. Sullivan; James D. Martin Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene Journal of the American Chemical Society, 2006, 128, 13463-13473
4118936	CIF	C Co Na3 O7 P	P 1 21/m 1	8.89282; 6.61758; 5.1456 90; 89.4853; 90	302.801	Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627
4121280	CIF	C Cs F O3 Pb	P -6 m 2	5.3888; 5.3888; 5.1071 90; 90; 120	128.44	Guohong Zou; Ling Huang; Ning Ye; Chensheng Lin; Wendan Cheng; Hui Huang CsPbCO3F: A Strong Second-Harmonic Generation Material Derived from Enhancement via p-π Interaction Journal of the American Chemical Society, 2013, 135, 18560-18566
4103811	CIF	C Cs N7	P 21 21 21	4.3082; 7.1345; 18.6869 90; 90; 90	574.38	Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134
4118935	CIF	C Cu Na3 O7 P	P 1 21/m 1	9.0079; 6.43969; 5.16525 90; 88.942; 90	299.58	Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627
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
4107199	CIF	C F K O3 Sr	P -6 m 2	5.2598; 5.2598; 4.6956 90; 90; 120	112.5	Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007
4124275	CIF	C F Mg O3 Rb	P -6 2 m	9.016; 9.016; 3.9403 90; 90; 120	277.388	Tran, T. Thao; He, Jiangang; Rondinelli, James M.; Halasyamani, P. Shiv RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material. Journal of the American Chemical Society, 2015, 150814134038006
4107201	CIF	C F O3 Rb Sr	P -6 m 2	5.3; 5.3; 4.79 90; 90; 120	116.525	Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007
4118940	CIF	C Fe Na3 O7 P	P 1 21/m 1	8.95419; 6.61129; 5.16023 90; 89.6001; 90	305.472	Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627
4111404	CIF	C H Cs N2 O2	P 1 21/c 1	4.6921; 12.7144; 7.849 90; 99.2655; 90	462.14	Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society, 2005, 127, 1360-1361
4135376	CIF	C H F0 Na O4 Zn	P 1 c 1	3.3823; 5.453; 9.2505 90; 96.88; 90	169.385	Peng, Guang; Lin, Chensheng; Ye, Ning NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2 Journal of the American Chemical Society, 2020
4134742	CIF	C H I O	P -1	14.5262; 17.6511; 18.136 64.033; 69.797; 67.014	3762.4	Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V. Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core. Journal of the American Chemical Society, 2020
4117536	CIF	C H In10 N O9.09 S16	P 1 21/n 1	15.2866; 30.0105; 20.3917 90; 110.852; 90	8742.2	Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng Superbase Route to Supertetrahedral Chalcogenide Clusters Journal of the American Chemical Society, 2012, 134, 3619-3622
4111402	CIF	C H K N2 O2	I -4 2 d	9.2329; 9.2329; 9.3868 90; 90; 90	800.19	Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society, 2005, 127, 1360-1361
4119736	CIF	C H N O Zn	P 4/m m m	15.3916; 15.3916; 9.588 90; 90; 90	2271.4	Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks Journal of the American Chemical Society, 2013, 135, 7172-7180
4103597	CIF	C H N5 O3	C 1 c 1	7.9946; 9.1402; 6.2269 90; 99.584; 90	448.66	Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction Journal of the American Chemical Society, 2010, 132, 17216-17226
4135607	CIF	C H N5 O3	P 1 21/c 1	6.1997; 10.2689; 8.2547 90; 109.477; 90	495.45	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4132054	CIF	C H0 I3 N Pb0.818	P m -3 m	6.342; 6.342; 6.342 90; 90; 90	255.1	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132055	CIF	C H0 I3 N Pb0.854	P m -3 m	6.3338; 6.3338; 6.3338 90; 90; 90	254.09	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4127267	CIF	C H0 I3 N0.96 Pb0.524 Sn0.433	P m -3 m	6.3063; 6.3063; 6.3063 90; 90; 90	250.8	Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Ethylenediammonium-Based "Hollow" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability. Journal of the American Chemical Society, 2019, 141, 8627-8637
4132049	CIF	C H0 I3 N2 Pb0.755	P 4/m b m	9.0452; 9.0452; 6.4036 90; 90; 90	523.91	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132056	CIF	C H0 I3 N2 Pb0.946	P m -3 m	6.3663; 6.3663; 6.3663 90; 90; 90	258.02	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4127266	CIF	C H0 I3 N2.503 Pb0.388 Sn0.412	P m -3 m	6.3115; 6.3115; 6.3115 90; 90; 90	251.419	Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Ethylenediammonium-Based "Hollow" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability. Journal of the American Chemical Society, 2019, 141, 8627-8637
4108306	CIF	C H10 B11 Cl11 O4	P 1 21/n 1	10.1928; 17.8149; 12.4182 90; 98.8445; 90	2228.13	Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed The Nature of the Hydrated Proton H(aq)+ in Organic Solvents Journal of the American Chemical Society, 2008, 130, 12128-12138
4126748	CIF	C H12 Mn N2 O6 P3	P 1 21/n 1	7.4021; 10.2234; 13.4765 90; 103.573; 90	991.35	Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017
4115743	CIF	C H16 Co4 N O13 S	P -3	8.298; 8.298; 10.519 90; 90; 120	627.27	Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism Journal of the American Chemical Society, 2001, 123, 10584-10594
4110489	CIF	C H2 B11 Cl11	P -1	8.9136; 14.4549; 14.9526 73.416; 75.619; 84.322	1787.8	Evgenii S. Stoyanov; Stephan P. Hoffmann; Mark Juhasz; Christopher A. Reed The Structure of the Strongest Brønsted Acid: The Carborane Acid H(CHB11Cl11) Journal of the American Chemical Society, 2006, 128, 3160-3161
4123987	CIF	C H2 Cl4 Cs2 O2 Ru	A m a m	8.096; 17.19; 7.437 90; 90; 90	1035.01	Stanko, J.A.; Chaipayungpundhu, S. Crystal structure of cesium trans-tetrachloroaquocarbonylruthenate(II) Journal of the American Chemical Society, 1970, 92, 5580-5585
4103808	CIF	C H2 Li N7 O	P 1 21/c 1	8.9207; 4.6663; 12.8648 90; 95.608; 90	532.96	Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134
4135602	CIF	C H2 N5 Na O4	P 1 21/c 1	11.9484; 3.6295; 14.0899 90; 105.13; 90	589.85	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4103809	CIF	C H2 N7 Na O	P 1 21/c 1	11.203; 7.138; 14.409 90; 91.63; 90	1151.8	Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134
4117094	CIF	C H3 F O2	P n m a	6.551; 5.651; 7.347 90; 90; 90	272	Dirk Wiechert; Dietrich Mootz; Thomas Dahlems The Formic Acid 1D Array with H Bonds All Reversed: Structure of a Cocrystal with Hydrogen Fluoride1,2 Journal of the American Chemical Society, 1997, 119, 12665-12666
4122417	CIF	C H3 N3 O3	P 43 21 2	4.871; 4.871; 32.266 90; 90; 90	765.6	Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M. Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate. Journal of the American Chemical Society, 2014, 136, 11934
4113796	CIF	C H4 Cd N Se	P b c a	7.09494; 6.79535; 16.7212 90; 90; 90	806.17	Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties Journal of the American Chemical Society, 2003, 125, 7049-7055
4103602	CIF	C H4 N6 O3	P b c a	9.3989; 7.9263; 15.2618 90; 90; 90	1136.98	Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction Journal of the American Chemical Society, 2010, 132, 17216-17226
4135605	CIF	C H4 N6 O3	P -1	6.6353; 6.8575; 7.0924 67.848; 72.382; 80.022	284.24	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4103598	CIF	C H4 N6 O4	P 1 21/c 1	8.489; 12.341; 5.626 90; 91.221; 90	589.3	Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction Journal of the American Chemical Society, 2010, 132, 17216-17226
4135606	CIF	C H4 N6 O4	F d d 2	14.498; 44.396; 3.6494 90; 90; 90	2348.9	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4103805	CIF	C H4 N8	P 1 21 1	3.9103; 6.914; 9.9127 90; 99.177; 90	264.57	Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134
4116929	CIF	C H44 B3 F4 Fe O3 P2 Rh4	P 21 21 21	9.838; 17.799; 21.939 90; 90; 90	3841.7	Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects Journal of the American Chemical Society, 1997, 119, 550-559
4123712	CIF	C H5 Ge I3 N2	R 3 m :H	8.4669; 8.4669; 11.729 90; 90; 120	728.2	Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819
4132048	CIF	C H5 I3 N2 Pb0.743	P 4 b m	9.0452; 9.0452; 6.4036 90; 90; 90	523.91	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132051	CIF	C H5 I3 N2 Pb0.96	A m m 2	6.3652; 9.002; 9.0065 90; 90; 90	516.1	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4113795	CIF	C H5 N Te Zn	P b c a	7.179; 6.946; 18.913 90; 90; 90	943.1	Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties Journal of the American Chemical Society, 2003, 125, 7049-7055
4103804	CIF	C H5 N9	P 1 21/c 1	10.8114; 7.4641; 7.6676 90; 101.437; 90	606.47	Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134
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
4130071	CIF	C H6 Br N6	P 63/m	7.7196; 7.7196; 6.2784 90; 90; 120	324.02	Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs). Journal of the American Chemical Society, 2016, 138, 2823-2828
5900025	CIF	C H6 Cl N	P 4/m n c	6.04; 6.04; 5.05 90; 90; 90	184.23	J. Am. Chem. Soc., 1946, 68, 1970
4106167	CIF	C H6 F Fe N O4 P	P n n a	12.953; 10.6466; 6.4469 90; 90; 90	889.06	Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates Journal of the American Chemical Society, 2011, 133, 8252-8263
4123711	CIF	C H6 Ge I3 N	R 3 m :H	8.5534; 8.5534; 11.162 90; 90; 120	707.2	Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819
4123714	CIF	C H6 Ge I3 N3	P 1 21/c 1	9.2308; 7.3399; 17.974 90; 120.65; 90	1047.67	Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819
4124388	CIF	C H6 I3 N Pb	I 4/m c m	8.8392; 8.8392; 12.6948 90; 90; 90	991.86	Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang; Maruyama, Naoki; Nishimura, Hidetaka; Wakamiya, Atsushi; Murata, Yasujiro; Kanemitsu, Yoshihiko Dynamic Optical Properties of CH3NH3PbI3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements. Journal of the American Chemical Society, 2015, 150814091520002
4132053	CIF	C H6 I3 N Pb0.815	P 4 m m	6.343; 6.343; 6.34 90; 90; 90	255.1	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4132057	CIF	C H6 I3 N Pb0.847	P 4 m m	6.3361; 6.3361; 6.329 90; 90; 90	254.09	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742
4121027	CIF	C H6 Mn N10	P 1 21/c 1	6.158; 7.113; 18.42 90; 102; 90	789.2	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009
4121028	CIF	C H6 Mn N10	P 1 21/c 1	6.199; 7.18; 18.379 90; 102.08; 90	799.9	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009
4121029	CIF	C H6 Mn N10	P 1 21/c 1	6.203; 7.199; 18.345 90; 102.108; 90	801	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009
4121030	CIF	C H6 Mn N10	P 1 21/c 1	6.2207; 7.253; 18.333 90; 102.178; 90	808.5	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009
4121031	CIF	C H6 Mn N10	P 1 21/c 1	9.0178; 7.3951; 12.575 90; 102.369; 90	819.1	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009
4121032	CIF	C H6 Mn N10	P 1 21/c 1	9.0165; 7.3957; 12.5731 90; 102.397; 90	818.87	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009
4121033	CIF	C H6 Mn N10	P 1 21/c 1	9.023; 7.405; 12.58 90; 102.338; 90	821.1	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009
4135601	CIF	C H6 N4 O4	P b c a	9.5532; 6.3625; 16.3333 90; 90; 90	992.77	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4124803	CIF	C H6.99 Dy3 O9.99	I 4 3 2	12.5189; 12.5189; 12.5189 90; 90; 90	1962	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124810	CIF	C H6.99 Dy3 O9.99	I 4 3 2	12.4967; 12.4967; 12.4967 90; 90; 90	1951.58	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124811	CIF	C H6.99 Dy3 O9.99	I 4 3 2	12.494; 12.494; 12.494 90; 90; 90	1950.31	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124812	CIF	C H6.99 Dy3 O9.99	I 4 3 2	12.4967; 12.4967; 12.4967 90; 90; 90	1951.58	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124801	CIF	C H6.99 Gd3 O9.99	I 4 3 2	12.6563; 12.6563; 12.6563 90; 90; 90	2027.31	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124804	CIF	C H6.99 Gd3 O9.99	I 4 3 2	12.6606; 12.6606; 12.6606 90; 90; 90	2029.38	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124805	CIF	C H6.99 Gd3 O9.99	I 4 3 2	12.669; 12.669; 12.669 90; 90; 90	2033.42	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124806	CIF	C H6.99 Gd3 O9.99	I 4 3 2	12.6589; 12.6589; 12.6589 90; 90; 90	2028.56	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124807	CIF	C H6.99 Gd3 O9.99	I 4 3 2	12.6541; 12.6541; 12.6541 90; 90; 90	2026.25	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124808	CIF	C H6.99 Gd3 O9.99	I 4 3 2	12.6596; 12.6596; 12.6596 90; 90; 90	2028.9	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124809	CIF	C H6.99 Gd3 O9.99	I 4 3 2	12.6597; 12.6597; 12.6597 90; 90; 90	2028.94	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124802	CIF	C H6.99 O9.99 Tb3	I 4 3 2	12.59; 12.59; 12.59 90; 90; 90	1995.62	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124813	CIF	C H6.99 O9.99 Tb3	I 4 3 2	12.5137; 12.5137; 12.5137 90; 90; 90	1959.55	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124814	CIF	C H6.99 O9.99 Tb3	I 4 3 2	12.4988; 12.4988; 12.4988 90; 90; 90	1952.56	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4124815	CIF	C H6.99 O9.99 Tb3	I 4 3 2	12.5234; 12.5234; 12.5234 90; 90; 90	1964.11	Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991
4103909	CIF	C H8 B N	P n m a	11.135; 6.5575; 4.9194 90; 90; 90	359.2	Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations Journal of the American Chemical Society, 2009, 131, 2231-2243
4108305	CIF	C H8 B11 Cl11 O3	P n a 21	13.1286; 10.2028; 15.7311 90; 90; 90	2107.16	Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed The Nature of the Hydrated Proton H(aq)+ in Organic Solvents Journal of the American Chemical Society, 2008, 130, 12128-12138
4122893	CIF	C H8 I3 N O Pb	P 1 21/m 1	10.3939; 4.6419; 11.1181 90; 101.161; 90	526.27	Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G. Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10% Journal of the American Chemical Society, 2014, 141106073145004
4128767	CIF	C I3 N2.857 Pb0.48 Sn0.521	P m -3 m	6.2983; 6.2983; 6.2983 90; 90; 90	249.845	Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Ethylenediammonium-Based "Hollow" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability. Journal of the American Chemical Society, 2019, 141, 8627-8637
1010090	CIF	C K N O	I 4/m c m	6.07; 6.07; 7.03 90; 90; 90	259	Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society, 1925, 47, 2904-2920
4135603	CIF	C K N5 O3	P 1 21/n 1	6.8957; 11.5328; 7.0382 90; 97.155; 90	555.37	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327
4103810	CIF	C K N7	P 1 21/c 1	9.7759; 6.299; 8.4533 90; 96.72; 90	516.96	Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134
4118939	CIF	C Mg Na3 O7 P	P 1 21/m 1	8.82663; 6.61646; 5.15605 90; 89.6919; 90	301.114	Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627
4118938	CIF	C Mn Na3 O7 P	P 1 21/m 1	8.98593; 6.73577; 5.15998 90; 90.1225; 90	312.318	Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627
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
4118937	CIF	C Na3 Ni O7 P	P 1 21/m 1	8.82621; 6.586832; 5.127293 90; 89.2669; 90	298.06	Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627
1011031	CIF	C Si	F -4 3 m	4.358; 4.358; 4.358 90; 90; 90	82.8	Burdick, C L; Owen, E A The Atomic Structure of Carborundum Determined by X-Rays Journal of the American Chemical Society, 1918, 40, 1749-1759
4103448	CIF	C0 Be2 K2 Na0 O12 Si4	P 1 21/m 1	8.4812; 13.7542; 8.5138 90; 109.015; 90	938.96	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4114283	CIF	C0 F8 Fe2 N6 O8 P2	P n a 21	22.81; 7.5762; 8.8993 90; 90; 90	1537.9	Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes Journal of the American Chemical Society, 2003, 125, 12935-12944
4103447	CIF	C0 H0 Be2 K2 O24 Si6	P 42/n m c :2	13.8256; 13.8256; 9.7767 90; 90; 90	1868.79	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4127750	CIF	C0 H0 K26.92 O159 P0 U24	I 4/m	19.6881; 19.6881; 19.0607 90; 90; 90	7388.3	Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C. Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations. Journal of the American Chemical Society, 2019, 141, 12780-12788
4130132	CIF	C0 H0 O228 Ti84	F m -3	29.896; 29.896; 29.896 90; 90; 90	26720.2	Gao, Mei-Yan; Wang, Fei; Gu, Zhi-Gang; Zhang, De-Xiang; Zhang, Lei; Zhang, Jian Fullerene-like Polyoxotitanium Cage with High Solution Stability. Journal of the American Chemical Society, 2016, 138, 2556-2559
4103450	CIF	C0 H4 Be K O8 Si4	P 1	7.1255; 7.13; 15.5209 90.315; 90.117; 90.006	788.52	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4110019	CIF	C0.01 H0 O0.01 Zn0	F m -3 m	25.8074; 25.8074; 25.8074 90; 90; 90	17188	Zhenqiang Wang; Seth M. Cohen Postsynthetic Covalent Modification of a Neutral Metal-Organic Framework Journal of the American Chemical Society, 2007, 129, 12368-12369
4118800	CIF HKL	C0.11 Al0.1 Na0.1 O1.21 Si0.4	I -4 3 m	14.62823; 14.62823; 14.62823 90; 90; 90	3130.22	Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases Journal of the American Chemical Society, 2012, 134, 17628-17642
4131764	CIF	C0.21 H0.58 Br0.21 Mn0.05 N0.05	P 63/m m c	10.031; 10.031; 6.977 90; 90; 120	608	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film. Journal of the American Chemical Society, 2017, 139, 18071-18077
4131510	CIF	C0.3 H0.7 I0.13 N0.09 Rb0.04	R 3 :R	7.272; 7.272; 7.272 84.81; 84.81; 84.81	380.1	Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society, 2017, 139, 10897-10902
4103449	CIF	C0.4 Be1.6 K3.2 N0.4 O12 Si6.4	P n m a	12.7069; 13.2309; 13.9362 90; 90; 90	2343	Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686
4113785	CIF	C0.5 H34 K10 Mn4 O16.5 Se17 Sn4	P 41 21 2	15.515; 15.515; 25.44 90; 90; 90	6123.8	Stefanie Dehnen; Michael K. Brandmayer Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn) Journal of the American Chemical Society, 2003, 125, 6618-6619
4113784	CIF	C0.5 H34 K10 O16.5 Se17 Sn4 Zn4	P 43 21 2	15.384; 15.384; 25.386 90; 90; 90	6008	Stefanie Dehnen; Michael K. Brandmayer Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn) Journal of the American Chemical Society, 2003, 125, 6618-6619
4126753	CIF	C0.5 H6 Mn0.5 N1.5 O3 P1.5	I 1 2/m 1	8.7596; 13.2087; 9.6956 90; 89.764; 90	1121.8	Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017
4100885	CIF	C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02	P 1 21/c 1	16.672; 31.875; 16.47 90; 105.04; 90	8453	Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society, 2005, 127, 16364-16365
4130457	CIF	C0.99 H0.61 O0.2 Zr0.04	F m -3 m	38.554; 38.554; 38.554 90; 90; 90	57307	Manna, Kuntal; Ji, Pengfei; Greene, Francis X.; Lin, Wenbin Metal-Organic Framework Nodes Support Single-Site Magnesium-Alkyl Catalysts for Hydroboration and Hydroamination Reactions. Journal of the American Chemical Society, 2016, 138, 7488-7491
4130788	CIF	C1.17 H0.53 O0.24 Zr0.05	P m -3 n	41.512; 41.512; 41.512 90; 90; 90	71535	Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles. Journal of the American Chemical Society, 2016, 138, 12234-12242
4130790	CIF	C1.25 Hf0.05 O0.26	P m -3 n	41.516; 41.516; 41.516 90; 90; 90	71556	Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles. Journal of the American Chemical Society, 2016, 138, 12234-12242
4128612	CIF	C1.34 H1.18 F0.08 N0.04 Np0.24 O1.05	P 6/m	20.719; 20.719; 18.477 90; 90; 120	6869	Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C. In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework. Journal of the American Chemical Society, 2019, 141, 11842-11846
4107590	CIF	C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36	I m -3 m	18.761; 18.761; 18.761 90; 90; 90	6603	Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands Journal of the American Chemical Society, 2008, 130, 3768-3770
4126749	CIF	C1.5 H4 Mn0.5 N0.5 O3 P1.5	C 1 2/c 1	13.4506; 10.2196; 7.5274 90; 103.604; 90	1005.69	Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017
4100074	CIF	C1.65 H10 N0.82 O5.24 Se U0.59	I 2 m m	10.8864; 29.532; 47.439 90; 90; 90	15251.5	Journal of the American Chemical Society, 2005
9014909	CIF	C1.72 H18 O10	F d -3 m :1	17.175; 17.175; 17.175 90; 90; 90	5066.29	Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412
4133596	CIF	C1.74 H0.5 O2.83 Zr0.5	F d -3 m :2	35.0104; 35.0104; 35.0104 90; 90; 90	42913	Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M. Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol. Journal of the American Chemical Society, 2018, 140, 18208-18216
4121073	CIF	C1.81 H1.94 Ag0.13 F0.77 N0.39 O0.13 P0.13	P 1 21/c 1	11.9135; 10.1334; 13.9442 90; 99.587; 90	1659.89	Xiao-Ping Zhou; Yuan Wu; Dan Li Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation Journal of the American Chemical Society, 2013, 135, 16062-16065
4133595	CIF	C1.9 H0.55 O2.77 Zr0.5	F d -3 m :2	35.0221; 35.0221; 35.0221 90; 90; 90	42956	Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M. Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol. Journal of the American Chemical Society, 2018, 140, 18208-18216
4124116	CIF	C10 F2 N4 O48 Si24	C 1 m 1	10.44783; 14.9854; 8.83659 90; 105.935; 90	1330.33	Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y. Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409
4134281	CIF	C10 H0 F0 I4 N2 Pb	I 4/m m m	6.5653; 6.5653; 25.81 90; 90; 90	1112.5	Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020
4116324	CIF	C10 H0 F13 N4 O U2	P 1 21/c 1	15.385; 12.688; 17.532 90; 107.48; 90	3264.3	R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies Journal of the American Chemical Society, 1999, 121, 1609-1610
4118763	CIF	C10 H10 Au N2 O2 S2 Se4	P 1 21/a 1	14.7952; 4.1628; 13.4493 90; 95.717; 90	824.22	Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes Journal of the American Chemical Society, 2012, 134, 17138-17148
4118762	CIF	C10 H10 Au N2 O2 S6	P 1 21/a 1	14.135; 4.137; 13.46 90; 97.14; 90	781	Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes Journal of the American Chemical Society, 2012, 134, 17138-17148
4118764	CIF	C10 H10 Au N2 S4 Se4	P 1 21/a 1	14.5116; 4.0984; 14.3554 90; 92.613; 90	852.89	Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes Journal of the American Chemical Society, 2012, 134, 17138-17148
4105374	CIF	C10 H10 Au N2 S8	P 1 21/a 1	14.06; 4.0593; 14.259 90; 93.524; 90	812.3	Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex Journal of the American Chemical Society, 2009, 131, 16961-16967
4115091	CIF	C10 H10 B F3 O	P 1 21/n 1	7.4487; 17.747; 7.8625 90; 104.66; 90	1005.5	Do Hyun Ryu; Thomas W. Lee; E. J. Corey Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines Journal of the American Chemical Society, 2002, 124, 9992-9993
4115090	CIF	C10 H10 B F3 O2	P 1 21/n 1	9.9804; 10.1025; 10.7724 90; 107.403; 90	1036.4	Do Hyun Ryu; Thomas W. Lee; E. J. Corey Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines Journal of the American Chemical Society, 2002, 124, 9992-9993
4135067	CIF	C10 H10 B2	P -1	7.0969; 8.5411; 14.8555 91.182; 103.436; 97.147	867.87	Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction. Journal of the American Chemical Society, 2020
4122923	CIF	C10 H10 Br F O	P 21 21 21	4.9777; 9.2119; 21.6756 90; 90; 90	993.91	Zi, Weiwei; Wang, Yi-Ming; Toste, F. Dean An in situ directing group strategy for chiral anion phase-transfer fluorination of allylic alcohols. Journal of the American Chemical Society, 2014, 136, 12864-12867
4129189	CIF	C10 H10 Br N O	P 1 21 1	4.807; 7.0174; 14.3984 90; 96.901; 90	482.18	Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation Journal of the American Chemical Society, 2019
4110763	CIF	C10 H10 Br2 Cl4 Cu N2	P -1	7.407; 7.703; 15.506 82.644; 79.837; 68.888	810.4	Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585
4110764	CIF	C10 H10 Br2 Cl4 Cu N2	P -1	7.5702; 7.8282; 15.562 82.064; 78.89; 67.093	831.54	Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585
4110766	CIF	C10 H10 Br2 Cl4 Cu N2	P -1	7.56821; 7.82283; 15.5551 82.1012; 78.9087; 67.0878	830.44	Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585
4126312	CIF	C10 H10 Br2 Cl4 N2 Np O2	C 1 2/m 1	15.9996; 8.6659; 6.8488 90; 102.023; 90	928.76	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126319	CIF	C10 H10 Br2 Cl4 N2 Np O2	C 1 2/m 1	15.715; 8.6156; 6.874 90; 102.349; 90	909.2	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126316	CIF	C10 H10 Br2 Cl4 N2 O2 Pu	C 1 2/m 1	16.1488; 8.734; 6.7757 90; 101.912; 90	935.09	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4108029	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.2842; 7.5139; 14.0608 90; 100.051; 90	1798.08	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108030	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.249; 7.4744; 13.9631 90; 100.123; 90	1772.2	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108031	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.2461; 7.4589; 13.9154 90; 100.129; 90	1762.14	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108032	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.2353; 7.4456; 13.8804 90; 100.158; 90	1753.3	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108033	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.2433; 7.4312; 13.8431 90; 100.143; 90	1746.1	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108034	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.2186; 7.4177; 13.8073 90; 100.193; 90	1735.67	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108035	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.211; 7.4028; 13.7689 90; 100.218; 90	1726.47	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108036	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.1969; 7.3925; 13.7372 90; 100.243; 90	1718.55	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108037	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.1915; 7.3882; 13.7152 90; 100.254; 90	1714.2	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108047	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.214; 7.4879; 14.0091 90; 99.98; 90	1778.4	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108048	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.211; 7.3392; 13.7246 90; 100.381; 90	1705.2	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108049	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.144; 7.2256; 13.5526 90; 100.611; 90	1650.1	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108050	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.137; 7.188; 13.504 90; 100.821; 90	1633.9	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108051	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.082; 7.066; 13.353 90; 101.073; 90	1581.7	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108052	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.058; 7.0335; 13.2733 90; 101.103; 90	1562.7	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108053	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	17.022; 6.9783; 13.1936 90; 101.2; 90	1537.3	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108054	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	16.968; 6.8746; 13.0779 90; 101.392; 90	1495.5	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108055	CIF	C10 H10 Br4 Cl2 Co N2	C 1 2/c 1	16.92; 6.768; 13.009 90; 101.541; 90	1459.6	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108141	CIF	C10 H10 Cl14 Mo6 N2 O2	P 1 21/c 1	8.9148; 9.6561; 17.6885 90; 94.7019; 90	1517.54	Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols Journal of the American Chemical Society, 2008, 130, 10038-10039
4108140	CIF	C10 H10 Cl14 Mo6 N2 O8	P n a 21	17.1972; 9.7664; 20.8704 90; 90; 90	3505.28	Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols Journal of the American Chemical Society, 2008, 130, 10038-10039
4120574	CIF	C10 H10 Cl2 N2 Pt	P -1	5.4655; 6.9612; 7.6303 79.842; 84.579; 89.123	284.48	Johnstone, Timothy C.; Lippard, Stephen J. The chiral potential of phenanthriplatin and its influence on Guanine binding. Journal of the American Chemical Society, 2014, 136, 2126-2134
4134072	CIF	C10 H10 Cl4 Fe Ga	P n m a	13.902; 8.7619; 11.972 90; 90; 90	1458.3	Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate. Journal of the American Chemical Society, 2020
4134071	CIF	C10 H10 Cl4 Fe2	P n m a	13.7297; 8.6471; 11.9568 90; 90; 90	1419.5	Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate. Journal of the American Chemical Society, 2020
4134073	CIF	C10 H10 Cl4 Fe2	P n m a	13.8181; 8.7371; 11.9538 90; 90; 90	1443.2	Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate. Journal of the American Chemical Society, 2020
4126313	CIF	C10 H10 Cl4 I2 N2 Np O2	C 1 2/m 1	16.3553; 8.668; 6.9455 90; 102.394; 90	961.7	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126320	CIF	C10 H10 Cl4 I2 N2 Np O2	C 1 2/m 1	16.084; 8.61; 6.9394 90; 103.004; 90	936.3	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126317	CIF	C10 H10 Cl4 I2 N2 O2 Pu	C 1 2/m 1	16.4644; 8.7019; 6.8794 90; 102.267; 90	963.12	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4108020	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.506; 7.3215; 13.9763 90; 100.516; 90	1660.65	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108021	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4936; 7.3003; 13.888 90; 100.556; 90	1643.93	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108022	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.493; 7.2802; 13.8389 90; 100.55; 90	1633.58	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108023	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4898; 7.2729; 13.7991 90; 100.551; 90	1626.93	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108024	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4924; 7.2511; 13.7532 90; 100.545; 90	1616.94	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108025	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4836; 7.2469; 13.7167 90; 100.551; 90	1610.82	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108026	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4821; 7.2348; 13.6784 90; 100.547; 90	1603.52	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108027	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4775; 7.226; 13.6408 90; 100.546; 90	1596.73	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108028	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4754; 7.2193; 13.6161 90; 100.541; 90	1592.18	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108038	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.52; 7.3101; 13.95 90; 100.485; 90	1656.5	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108039	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.5059; 7.2124; 13.752 90; 100.695; 90	1608.7	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108040	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4993; 7.1511; 13.6366 90; 100.808; 90	1580.4	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108041	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4769; 7.0705; 13.4942 90; 100.971; 90	1543.3	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108042	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.4411; 6.9803; 13.3444 90; 101.164; 90	1502.47	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108043	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.3973; 6.8907; 13.2377 90; 101.387; 90	1466.27	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108044	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.3564; 6.76; 13.15 90; 101.79; 90	1423.3	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108045	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.354; 6.577; 13.014 90; 102.23; 90	1368	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4108046	CIF	C10 H10 Cl6 Co N2	C 1 2/c 1	16.317; 6.5279; 12.914 90; 102.463; 90	1343.1	Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071
4110759	CIF	C10 H10 Cl6 Cu N2	P -1	7.1853; 7.6605; 15.4482 82.336; 80.555; 70.735	788.95	Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585
4110760	CIF	C10 H10 Cl6 Cu N2	P -1	7.3119; 7.7799; 15.497 81.684; 79.779; 69.368	808.69	Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585
4110762	CIF	C10 H10 Cl6 Cu N2	P -1	7.30931; 7.77643; 15.49792 81.6898; 79.7745; 69.3487	807.99	Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585
4126311	CIF	C10 H10 Cl6 N2 Np O2	C 1 2/m 1	15.7687; 6.7068; 9.0971 90; 105.585; 90	926.71	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126318	CIF	C10 H10 Cl6 N2 Np O2	C 1 2/m 1	15.705; 6.5663; 9.05 90; 105.538; 90	899.2	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126315	CIF	C10 H10 Cl6 N2 O2 Pu	C 1 2/m 1	15.8025; 6.7045; 9.1106 90; 105.384; 90	930.66	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4133885	CIF	C10 H10 Co F6 P	P 1 21/c 1	13.2837; 9.1759; 9.252 90; 96.293; 90	1120.9	Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes. Journal of the American Chemical Society, 2019
4121379	CIF	C10 H10 Cu F4 N2 O2 V	P 1 21/c 1	7.107; 17.24; 12.1314 90; 125.491; 90	1210.2	Romain Gautier; Kengo Oka; Takumi Kihara; Nitesh Kumar; Athinarayanan Sundaresan; Masashi Tokunaga; Masaki Azuma; Kenneth R. Poeppelmeier Spin Frustration from cis-Edge or -Corner Sharing Metal-Centered Octahedra Journal of the American Chemical Society, 2013, 135, 19268-19274
4100941	CIF	C10 H10 Cu3 Mo2 N2 O10	P -1	5.5199; 5.6912; 13.456 83.015; 85.442; 79.488	411.82	Shores, M. P.; Bartlett, B. M.; Nocera, D. G. Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite Journal of the American Chemical Society, 2005, 127, 17986-17987
4128042	CIF	C10 H10 F N O2	C 1 2/c 1	20.7185; 9.3045; 12.4912 90; 133.858; 90	1736.31	Yu, Jin-Sheng; Espinosa, Miguel; Noda, Hidetoshi; Shibasaki, Masakatsu Traceless Electrophilic Amination for the Synthesis of Unprotected Cyclic β-Amino Acids. Journal of the American Chemical Society, 2019, 141, 10530-10537
4103843	CIF	C10 H10 F2 N2 Pd	P 1 21/c 1	16.308; 7.9739; 17.077 90; 109.33; 90	2095.5	Vladimir V. Grushin; William J. Marshall trans-Difluoro Complexes of Palladium(II) Journal of the American Chemical Society, 2009, 131, 918-919
4118219	CIF	C10 H10 F3 N O	P 1 21/c 1	8.8952; 7.6628; 16.6493 90; 117.473; 90	1006.87	Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation Journal of the American Chemical Society, 2012, 134, 11196-11205
4127787	CIF	C10 H10 F3 N O	P 21 21 21	4.9345; 8.6504; 23.3738 90; 90; 90	997.72	Gimenez, Diana; Zhou, Guangfeng; Hurley, Matthew F. D.; Aguilar, Juan A.; Voelz, Vincent A.; Cobb, Steven L. Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure. Journal of the American Chemical Society, 2019, 141, 3430-3434
4130091	CIF	C10 H10 F3 N O3	P 1 21/n 1	5.0912; 8.9533; 23.0489 90; 94.2965; 90	1047.69	Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S. Mechanogeneration of Acid from Oxime Sulfonates. Journal of the American Chemical Society, 2016, 138, 2540-2543
4120259	CIF	C10 H10 F4 N3 Nb O	C 1 c 1	20.2084; 3.98043; 15.7991 90; 109.387; 90	1198.79	Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier Nonlinear Active Materials: An Illustration of Controllable Phase Matchability Journal of the American Chemical Society, 2013, 135, 11942-11950
4128109	CIF	C10 H10 I N O	P 21 21 21	4.6221; 7.3099; 29.54 90; 90; 90	998.1	Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions. Journal of the American Chemical Society, 2019, 141, 7194-7201
4103846	CIF	C10 H10 I2 N2 Pd	C 1 2/m 1	8.71; 14.865; 5.3681 90; 100.127; 90	684.2	Vladimir V. Grushin; William J. Marshall trans-Difluoro Complexes of Palladium(II) Journal of the American Chemical Society, 2009, 131, 918-919
4103847	CIF	C10 H10 I2 N2 Pd	C 1 2/c 1	17.039; 4.993; 17.697 90; 115.202; 90	1362.3	Vladimir V. Grushin; William J. Marshall trans-Difluoro Complexes of Palladium(II) Journal of the American Chemical Society, 2009, 131, 918-919
4119219	CIF	C10 H10 La O16 P4	P 1 21/c 1	6.0301; 18.347; 19.0401 90; 95.541; 90	2096.6	Jared M. Taylor; Karl W. Dawson; George K. H. Shimizu A Water-Stable Metal-Organic Framework with Highly Acidic Pores for Proton-Conducting Applications Journal of the American Chemical Society, 2013, 135, 1193-1196
4102501	CIF	C10 H10 N2	P 1 21 1	5.5395; 8.7722; 8.7887 90; 90.678; 90	427.04	Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations Journal of the American Chemical Society, 2010, 132, 7730-7744
4121576	CIF	C10 H10 N2 O3	C 1 2/c 1	20.687; 6.4683; 15.9083 90; 116.05; 90	1912.4	Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S. A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes. Journal of the American Chemical Society, 2014, 136, 5279-5282
4102219	CIF	C10 H10 N2 O4	P b c n	11.65; 5.8419; 15.9102 90; 90; 90	1082.82	Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore Masked Cyanoacrylates Unveiled by Mechanical Force Journal of the American Chemical Society, 2010, 132, 4558-4559
4102220	CIF	C10 H10 N2 O4	P -1	5.9857; 9.3466; 9.4874 93.652; 100.48; 95.083	518.15	Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore Masked Cyanoacrylates Unveiled by Mechanical Force Journal of the American Chemical Society, 2010, 132, 4558-4559
4107146	CIF	C10 H10 N2 O4	P -1	5.9857; 9.3466; 9.4874 93.652; 100.48; 95.083	518.15	Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores Journal of the American Chemical Society, 2011, 133, 18992-18998
4107147	CIF	C10 H10 N2 O4	P b c n	11.65; 5.8419; 15.9102 90; 90; 90	1082.82	Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores Journal of the American Chemical Society, 2011, 133, 18992-18998
4129285	CIF	C10 H10 N2 O4 S	P 1 21/c 1	8.7977; 7.8194; 15.8743 90; 97.043; 90	1083.8	Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav Mechanochemical ruthenium-catalyzed olefin metathesis. Journal of the American Chemical Society, 2015, 137, 2476-2479
4135189	CIF	C10 H10 N3 O3 Zn	R 3 c :H	26.583; 26.583; 10.1311 90; 90; 120	6200.1	Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society, 2020
4122380	CIF	C10 H10 N4	P 1 21/c 1	11.2431; 10.1867; 8.9687 90; 104.512; 90	994.41	Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J. Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives. Journal of the American Chemical Society, 2014, 136, 11878
4125843	CIF	C10 H10 N4	P b c a	10.1175; 11.0673; 16.8859 90; 90; 90	1890.77	Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J. Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design. Journal of the American Chemical Society, 2017, 139, 1261-1274
4106790	CIF	C10 H10 O2	P 21 21 21	7.2085; 7.8988; 13.8528 90; 90; 90	788.758	Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions Journal of the American Chemical Society, 2011, 133, 14578-14581
4107369	CIF	C10 H10 O2	P 1 21/n 1	10.8535; 5.5167; 13.9943 90; 100.41; 90	824.12	Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis Journal of the American Chemical Society, 2008, 130, 1741-1748
4120169	CIF HKL	C10 H10 O2	P 1 21 1	7.3733; 6.0822; 9.3401 90; 100.71; 90	411.57	Javier Izquierdo; Ane Orue; Karl A. Scheidt A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations Journal of the American Chemical Society, 2013, 135, 10634-10637
4128275	CIF	C10 H10 O2	P b c a	8.5386; 10.4949; 18.8536 90; 90; 90	1689.5	Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence. Journal of the American Chemical Society, 2019, 141, 9885-9894
4125682	CIF	C10 H10 O2 S	P 1 21/c 1	5.93; 7.2867; 20.9055 90; 90.331; 90	903.31	Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226
4118501	CIF	C10 H10 O2 S4	P 1 21/c 1	13.462; 8.271; 11.139 90; 110.853; 90	1159	Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb) Journal of the American Chemical Society, 2012, 134, 13330-13340
4123090	CIF	C10 H10 O2 Si	P -1	6.799; 17.085; 17.516 68.123; 83.058; 77.859	1843.9	Tani, Yosuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi Copper-Catalyzed Regiodivergent Silacarboxylation of Allenes with Carbon Dioxide and a Silylborane. Journal of the American Chemical Society, 2014, 141212124847001
4120858	CIF	C10 H10 O5	P n a 21	7.1097; 11.5996; 12.0357 90; 90; 90	992.6	Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration Journal of the American Chemical Society, 2013, 135, 14438-14447
4113232	CIF	C10 H10 P2	P 1 21/n 1	8.484; 12.8058; 9.7203 90; 115.088; 90	956.43	Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene Journal of the American Chemical Society, 2004, 126, 15833-15843
4133980	CIF	C10 H10 Ru	P n m a	7.0229; 8.8503; 12.7614 90; 90; 90	793.18	Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society, 2020, 142, 1731-1734
4101806	CIF	C10 H10 S2 Si	C m c 21	13.186; 12.994; 6.7057 90; 90; 90	1148.9	Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties Journal of the American Chemical Society, 2010, 132, 1066-1074
4121125	CIF	C10 H10 S6	P 21 21 21	9.1424; 11.0497; 13.7839 90; 90; 90	1392.46	Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF) Journal of the American Chemical Society, 2013, 135, 17176-17186
4121126	CIF	C10 H10 S6	P 21 21 21	9.1575; 11.0492; 13.757 90; 90; 90	1392	Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF) Journal of the American Chemical Society, 2013, 135, 17176-17186
4125298	CIF	C10 H11 B Cl N	P -1	7.635; 9.2691; 14.887 89.64; 79.774; 70.461	975.5	Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex. Journal of the American Chemical Society, 2016, 138, 14566-14569
4130946	CIF	C10 H11 B F3 I O4	P 1 21/n 1	9.655; 8.3949; 16.7646 90; 94.564; 90	1354.51	Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications. Journal of the American Chemical Society, 2016, 138, 12747-12750
4133919	CIF	C10 H11 B F3 K O5	P c a 21	8.0689; 19.1049; 8.649 90; 90; 90	1333.29	Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society, 2020, 142, 1603-1613
4104413	CIF	C10 H11 B N2 O4	P 32	11.5735; 11.5735; 6.9885 90; 90; 120	810.67	David M. Knapp; Eric P. Gillis; Martin D. Burke A General Solution for Unstable Boronic Acids: Slow-Release Cross-Coupling from Air-Stable MIDA Boronates Journal of the American Chemical Society, 2009, 131, 6961-6963
4129292	CIF	C10 H11 Br O2 S	P 1 21 1	8.385; 5.7634; 11.4508 90; 104.014; 90	536.9	Lim, Kelvin Meng-Hui; Hayashi, Tamio Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones. Journal of the American Chemical Society, 2015, 137, 3201-3204
4116618	CIF	C10 H11 Cl N O2	P 1 21/c 1	11.033; 4.936; 18.011 90; 95.055; 90	977	Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates Journal of the American Chemical Society, 1999, 121, 11122-11129
4131985	CIF	C10 H11 Cl N O3 S	P 1 21/n 1	5.9637; 15.7025; 11.9733 90; 95.124; 90	1116.76	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4101500	CIF	C10 H11 Cl N2 O4	P 21 21 21	5.9181; 7.2067; 28.153 90; 90; 90	1200.7	Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes. Journal of the American Chemical Society, 2006, 128, 7418-7419
4101499	CIF	C10 H11 F N2 O4	P 1 21 1	7.5315; 19.034; 8.174 90; 104.27; 90	1135.6	Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes. Journal of the American Chemical Society, 2006, 128, 7418-7419
4117594	CIF	C10 H11 N O2	P 21 21 21	6.139; 11.7027; 12.4248 90; 90; 90	892.63	Gregory L. Adams; Patrick J. Carroll; Amos B. Smith Total Synthesis of (+)-Scholarisine A Journal of the American Chemical Society, 2012, 134, 4037-4040
4126125	CIF	C10 H11 N O3	P 1 21/c 1	20.0813; 7.5198; 12.1237 90; 91.565; 90	1830.09	Schäfer, Mathias; Peckelsen, Katrin; Paul, Mathias; Martens, Jonathan; Oomens, Jos; Berden, Giel; Berkessel, Albrecht; Meijer, Anthony J. H. M. Hydrogen Tunneling above Room Temperature Evidenced by Infrared Ion Spectroscopy. Journal of the American Chemical Society, 2017, 139, 5779-5786
4125086	CIF	C10 H11 N O3 S	P 1 21 1	9.1983; 16.7173; 13.7123 90; 90.549; 90	2108.5	Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines. Journal of the American Chemical Society, 2016, 138, 6571-6576
4132098	CIF	C10 H11 N O4	P 1 21/c 1	10.9576; 20.9044; 8.4845 90; 100.185; 90	1912.9	Discekici, Emre H.; St Amant, Andre H.; Nguyen, Shay N.; Lee, In-Hwan; Hawker, Craig J.; Read de Alaniz, Javier Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization. Journal of the American Chemical Society, 2018, 140, 5009-5013
4108978	CIF	C10 H11 N O5	P 21 21 21	4.7314; 9.4083; 23.648 90; 90; 90	1052.7	S. S. V. Ramasastry; Haile Zhang; Fujie Tanaka; Carlos F. Barbas Direct Catalytic Asymmetric Synthesis of anti-1,2-Amino Alcohols and syn-1,2-Diols through Organocatalytic anti-Mannich and syn-Aldol Reactions Journal of the American Chemical Society, 2007, 129, 288-289
4131980	CIF	C10 H11 N2 O5 S	I 1 2/a 1	17.884; 6.712; 19.8456 90; 112.723; 90	2197.3	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4100620	CIF	C10 H11 N3 O3 S	P 1 21/c 1	11.64; 6.8189; 15.419 90; 107.106; 90	1169.7	Price, C.P.; Grzesiak, A.L.; Matzger, A.J. Journal of the American Chemical Society, 2005
4100621	CIF	C10 H11 N3 O3 S	P 1 21/n 1	5.4895; 16.761; 12.422 90; 97.08; 90	1134.2	Price, C.P.; Grzesiak, A.L.; Matzger, A.J. Journal of the American Chemical Society, 2005
4129772	CIF	C10 H11 N3 O6 S	P 21 21 21	6.383; 8.0212; 22.0071 90; 90; 90	1126.75	Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605
4119250	CIF	C10 H110 K9 N5 O133 Se2 W29	P -1	16.7881; 16.8248; 22.9363 91.583; 109.045; 95.431	6084.6	Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates Journal of the American Chemical Society, 2013, 135, 1796-1805
4107306	CIF	C10 H12 Ag2 N4	I -4 3 d	27.2326; 27.2326; 27.2326 90; 90; 90	20196.1	Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917
4125543	CIF	C10 H12 B2 O4	P 1 21/c 1	12.799; 7.758; 10.736 90; 108.119; 90	1013.2	Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules. Journal of the American Chemical Society, 2017, 139, 2728-2733
4115278	CIF	C10 H12 Br Cl F I	P 1 21/c 1	12.4234; 12.3944; 7.8787 90; 90.012; 90	1213.17	Peter R. Schreiner; Andrey A. Fokin; Oliver Lauenstein; Yoshio Okamoto; Tsuneki Wakita; Christopher Rinderspacher; Gregory H. Robinson; Jason K. Vohs; Charles F. Campana Pseudotetrahedral Polyhaloadamantanes as Chirality Probes: Synthesis, Separation, and Absolute Configuration Journal of the American Chemical Society, 2002, 124, 13348-13349
4114975	CIF	C10 H12 Br2 O4	P 1 21/a 1	8.3045; 5.5002; 13.84 90; 95.622; 90	629.12	Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions Journal of the American Chemical Society, 2002, 124, 8891-8902
4116846	CIF	C10 H12 Cl2 N2 Si	C 1 2/c 1	15.4608; 6.166; 14.3313 90; 118.576; 90	1199.79	Karl Hensen; Thorsten Stumpf; Michael Bolte; Christian Näther; Holger Fleischer Experimental Investigations and ab Initio Studies on Hexacoordinated Complexes of Dichlorosilane Journal of the American Chemical Society, 1998, 120, 10402-10408
4114974	CIF	C10 H12 Cl2 O4	P 1 21/a 1	8.0986; 5.4164; 13.8414 90; 101.047; 90	595.91	Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions Journal of the American Chemical Society, 2002, 124, 8891-8902
4126310	CIF	C10 H12 Cl4 N2 Np O2	P -1	7.7161; 10.2869; 11.274 78.003; 71.909; 75.712	815.91	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126314	CIF	C10 H12 Cl4 N2 O2 Pu	P -1	7.7417; 10.3137; 11.2637 77.936; 71.773; 75.432	818.42	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4126309	CIF	C10 H12 Cl4 N2 O2 U	P -1	7.732; 10.312; 11.343 78.07; 72.22; 75.6	825.7	Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017
4119558	CIF	C10 H12 Co D4 K N8	P 4/m n c	8.2371; 8.2371; 11.6 90; 90; 90	787.1	Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233
4119559	CIF	C10 H12 Co D4 K N8	P 4/m n c	8.277; 8.277; 11.622 90; 90; 90	796.2	Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233
4134679	CIF	C10 H12 Cu F6 Hf N2 O2	P 1 2/n 1	6.259; 9.2167; 12.2518 90; 90.846; 90	706.7	Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R. Machine-Learning-Assisted Synthesis of Polar Racemates. Journal of the American Chemical Society, 2020, 142, 7555-7566
4131997	CIF	C10 H12 Cu F6 N10 O Si	C 1 2/c 1	16.3598; 11.2335; 21.3117 90; 91.676; 90	3914.9	Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations. Journal of the American Chemical Society, 2018, 140, 4596-4603
4134681	CIF	C10 H12 Cu F6 N2 O2 Ti	P n m a	7.727; 14.3219; 12.3521 90; 90; 90	1366.95	Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R. Machine-Learning-Assisted Synthesis of Polar Racemates. Journal of the American Chemical Society, 2020, 142, 7555-7566
4107309	CIF	C10 H12 Cu2 N4	I -4 3 d	26.407; 26.407; 26.407 90; 90; 90	18414	Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917
4112972	CIF	C10 H12 Fe O4 P Zn0.5	P c c n	9.695; 26.7; 8.864 90; 90; 90	2294.5	Olivier Oms; Jean Le Bideau; Fabrice Leroux; Arie van der Lee; Dominique Leclercq; André Vioux Mixed 1D-2D Inorganic Polymeric Zinc Ferrocenylphosphonate: Crystal Structure and Electrochemical Study Journal of the American Chemical Society, 2004, 126, 12090-12096
1100464	CIF	C10 H12 I N3	C 1 2/c 1	26.993; 5.599; 15.917 90; 105.44; 90	2318.78	Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society, 1996, 118, 4925-4930
4116617	CIF	C10 H12 N O2	P 1 21/a 1	10.98; 4.862; 17.72 90; 97.93; 90	936.9	Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates Journal of the American Chemical Society, 1999, 121, 11122-11129
4131979	CIF	C10 H12 N O3 S	P 1 21/n 1	8.8901; 7.0512; 16.8721 90; 95.229; 90	1053.24	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4131978	CIF	C10 H12 N O4 S	P 1 21/c 1	8.124; 5.7011; 23.0661 90; 93.074; 90	1066.79	Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145
4128674	CIF	C10 H12 N2 O	P 1 21 1	6.1799; 8.3702; 9.1069 90; 106.537; 90	451.59	Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J. Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions. Journal of the American Chemical Society, 2019, 141, 6247-6253
4115164	CIF	C10 H12 N2 O2	P -1	9.234; 9.254; 12.706 73.199; 76.044; 70.494	967.1	Alexander A. Tishkov; Alexander D. Dilman; Valery I. Faustov; Arsenij A. Birukov; Konstantin S. Lysenko; Paul A. Belyakov; Sema L. Ioffe; Yury A. Strelenko; Michael Yu. Antipin Structure and Stereodynamics of N,N-Bis(silyloxy)enamines Journal of the American Chemical Society, 2002, 124, 11358-11367
4120316	CIF	C10 H12 N2 O2	P 1 21/c 1	7.6315; 12.0996; 10.2473 90; 97.95; 90	937.1	Subash Chandra Sahoo; Manas K. Panda; Naba K. Nath; Panče Naumov Biomimetic Crystalline Actuators: Structure-Kinematic Aspects of the Self-Actuation and Motility of Thermosalient Crystals Journal of the American Chemical Society, 2013, 135, 12241-12251
4127699	CIF	C10 H12 N2 O5	P -1	7.9812; 12.549; 12.711 63.35; 73.51; 83.41	1090.9	Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine. Journal of the American Chemical Society, 2019, 141, 16279-16287
4127700	CIF	C10 H12 N2 O5	P -1	6.721; 7.967; 10.75 76.398; 89.55; 80.515	551.5	Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine. Journal of the American Chemical Society, 2019, 141, 16279-16287
4132369	CIF	C10 H12 N4 O2	P 1 21/c 1	9.8903; 4.6929; 11.8569 90; 96.707; 90	546.56	Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks. Journal of the American Chemical Society, 2018, 140, 6467-6473
4131460	CIF	C10 H12 N4 Pd	P 1 21/c 1	9.9648; 34.1529; 13.0537 90; 106.465; 90	4260.35	Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment. Journal of the American Chemical Society, 2017, 139, 10633-10636
4105799	CIF	C10 H12 N6 O3	P 1 21/n 1	9.9777; 20.156; 11.0109 90; 92.311; 90	2212.6	Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W. Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2011, 133, 4149-4150
4112258	CIF	C10 H12 O4	I b a 2	13.483; 21.392; 6.8956 90; 90; 90	1988.9	Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes Journal of the American Chemical Society, 2004, 126, 2035-2041
4113696	CIF	C10 H12 O4	P -1	5.976; 7.55; 11.552 96.3; 90.03; 105.77	498.3	F. Albert Cotton; James P. Donahue; Carlos A. Murillo Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry Journal of the American Chemical Society, 2003, 125, 5436-5450
4127501	CIF	C10 H12 O4	P -1	7.7553; 8.2119; 8.3575 77.75; 69.61; 66.847	456.97	Fan, Jie; Liao, Ge; Kindinger, Florian; Ludwig-Radtke, Lena; Yin, Wen-Bing; Li, Shu-Ming Peniphenone and Penilactone Formation in Penicillium crustosum via 1,4-Michael Additions of ortho-Quinone Methide from Hydroxyclavatol to γ-Butyrolactones from Crustosic Acid. Journal of the American Chemical Society, 2019, 141, 4225-4229
4104584	CIF	C10 H13 Br O2	P 1 21 1	6.2315; 8.0843; 10.0707 90; 92.451; 90	506.87	Sang Young Yun; Jun-Cheng Zheng; Daesung Lee Stereoelectronic Effect for the Selectivity in C-H Insertion of Alkylidene Carbenes and Its Application to the Synthesis of Platensimycin Journal of the American Chemical Society, 2009, 131, 8413-8415
4105800	CIF	C10 H13 Cl N6 O3	P -1	7.0578; 7.96; 12.8899 72.221; 77.298; 65.396	623.35	Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W. Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2011, 133, 4149-4150
4121746	CIF	C10 H13 Cl2 N O	P 1 c 1	9.4966; 10.2364; 12.0587 90; 104.097; 90	1136.94	Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S. Palau'chlor: A Practical and Reactive Chlorinating Reagent. Journal of the American Chemical Society, 2014, 136, 6908-6911
4110131	CIF	C10 H13 Cr Mn N8	P 1 21/c 1	7.85; 14.31; 12.97 90; 90.1; 90	1457	Wakako Kaneko; Masaaki Ohba; Susumu Kitagawa A Flexible Coordination Polymer Crystal Providing Reversible Structural and Magnetic Conversions Journal of the American Chemical Society, 2007, 129, 13706-13712
4132012	CIF	C10 H13 F12 N O3	P -1	9.5076; 9.6913; 9.753 103.771; 91.642; 113.628	791.84	Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society, 2018, 140, 4344-4353
4122587	CIF	C10 H13 Fe2 O5 P S2	P -1	8.4937; 9.4901; 11.7656 101.03; 104.003; 113.074	801.9	Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J. Electronic control of the protonation rates of Fe-Fe bonds. Journal of the American Chemical Society, 2014, 136, 13038-13044
4125020	CIF	C10 H13 I N6 O3	P 1 21 1	4.5885; 10.0115; 16.2053 90; 90.413; 90	744.42	Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T. Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution. Journal of the American Chemical Society, 2016, 138, 4818-4823
4133545	CIF	C10 H13 N O S	P 1 21 1	6.45; 10.41727; 14.8501 90; 99.2411; 90	984.85	Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine. Journal of the American Chemical Society, 2018, 140, 17404-17408
4117747	CIF	C10 H13 N O2	P 1 21/c 1	10.308; 6.921; 13.374 90; 105.34; 90	920.1	Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait Journal of the American Chemical Society, 2012, 134, 5938-5953
4122847	CIF	C10 H13 N3	P b c a	7.7043; 15.9073; 15.9426 90; 90; 90	1953.8	Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler Ylidenemalononitrile enamines as fluorescent "turn-on" indicators for primary amines. Journal of the American Chemical Society, 2014, 136, 15493-15496
4129773	CIF	C10 H13 N4 O5.5 S	P 1	4.8777; 7.7049; 17.0972 81.369; 82.83; 72.019	602.14	Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605
4118525	CIF	C10 H13 N6 O S	P 1 21/n 1	8.8428; 17.383; 16.123 90; 90.286; 90	2478.3	Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W. Multicomponent Assembly of Proposed DNA Precursors in Water Journal of the American Chemical Society, 2012, 134, 13889-13895
4120325	CIF	C10 H14 B10 F4	P c a 21	21.924; 7.5397; 9.2002 90; 90; 90	1520.8	Zaozao Qiu; Yangjian Quan; Zuowei Xie Palladium-Catalyzed Selective Fluorination of o-Carboranes Journal of the American Chemical Society, 2013, 135, 12192-12195
4120327	CIF	C10 H14 B10 F4	P 21 21 21	7.1817; 8.6876; 24.463 90; 90; 90	1526.3	Zaozao Qiu; Yangjian Quan; Zuowei Xie Palladium-Catalyzed Selective Fluorination of o-Carboranes Journal of the American Chemical Society, 2013, 135, 12192-12195
4103344	CIF	C10 H14 Br N O3	P 1 21/c 1	8.7129; 10.4699; 12.4154 90; 92.979; 90	1131	Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution Journal of the American Chemical Society, 2010, 132, 14780-14789
4116018	CIF	C10 H14 Cl3 N O Pt S	P -1	7.1808; 8.317; 12.725 93.87; 98.78; 105.75	718.11	Larissa Alexandrova; Oleg G. D'yachenko; Grigory M. Kazankov; Vladimir A. Polyakov; Pavel V. Samuleev; Enrique Sansores; Alexander D. Ryabov Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study Journal of the American Chemical Society, 2000, 122, 5189-5200
4107214	CIF	C10 H14 Cu O6 P2	C 1 2/c 1	18.566; 7.7903; 9.7596 90; 90.748; 90	1411.5	Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks Journal of the American Chemical Society, 2011, 133, 20048-20051
4128139	CIF	C10 H14 Fe N4	P 31 2 1	8.4206; 8.4206; 13.1696 90; 90; 120	808.7	López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8. Journal of the American Chemical Society, 2019, 141, 7173-7180
4101903	CIF	C10 H14 I N O3	P 1 21/c 1	11.536; 6.2833; 16.804 90; 104.543; 90	1179	Xinqiang Fang; Kun Liu; Chaozhong Li Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals Journal of the American Chemical Society, 2010, 132, 2274-2283
4101904	CIF	C10 H14 I N O3	P -1	6.84; 7.013; 13.178 79.04; 89.21; 73.583	594.8	Xinqiang Fang; Kun Liu; Chaozhong Li Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals Journal of the American Chemical Society, 2010, 132, 2274-2283
4115505	CIF	C10 H14 N3 O3 S	P -1	7.2609; 7.4075; 13.1537 89.189; 77.186; 62.193	606.91	K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society, 2001, 123, 4421-4431
4126893	CIF	C10 H14 N4 O4 Zn	I -4 3 m	17.2458; 17.2458; 17.2458 90; 90; 90	5129.2	Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A. Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society, 2017
4129771	CIF	C10 H14 N4 O5 S	P 1 21 1	4.8225; 8.003; 15.9946 90; 97.432; 90	612.12	Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605
4129774	CIF	C10 H14 N4 O6 S	P 21 21 21	6.9429; 11.0987; 16.3128 90; 90; 90	1257.02	Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605
4103570	CIF	C10 H14 N6 O3	P 1 21/n 1	4.576; 13.064; 20.128 90; 90.429; 90	1203.2	Matthew W. Powner; John D. Sutherland; Jack W. Szostak Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2010, 132, 16677-16688
4103571	CIF	C10 H14 N6 O4	P 21 21 21	7.749; 11.1967; 14.0827 90; 90; 90	1221.86	Matthew W. Powner; John D. Sutherland; Jack W. Szostak Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2010, 132, 16677-16688
4103572	CIF	C10 H14 N6 O4	P 1 21/n 1	4.4783; 18.704; 14.171 90; 98.611; 90	1173.6	Matthew W. Powner; John D. Sutherland; Jack W. Szostak Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2010, 132, 16677-16688
4115923	CIF	C10 H14 N8 O6 Pt	P -1	8.878; 10.223; 10.313 62.44; 77.18; 69.93	777.2	Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society, 2000, 122, 1381-1390
4101953	CIF	C10 H14 O	R -3 :H	21.9236; 21.9236; 10.0361 90; 90; 120	4177.53	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101954	CIF	C10 H14 O	R -3 :H	20.0129; 20.0129; 11.9485 90; 90; 120	4144.42	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101955	CIF	C10 H14 O	R -3 :H	14.6614; 14.6614; 22.7128 90; 90; 120	4228.17	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101956	CIF	C10 H14 O	R -3 :H	21.1499; 21.1499; 10.9707 90; 90; 120	4249.93	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101957	CIF	C10 H14 O	P 1 21/c 1	8.3762; 5.1455; 21.9095 90; 109.281; 90	891.327	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101958	CIF	C10 H14 O	R -3 :H	23.4015; 23.4015; 9.2166 90; 90; 120	4371.08	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101959	CIF	C10 H14 O	P 1 21/n 1	17.1461; 5.0284; 11.0202 90; 109.469; 90	895.808	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101960	CIF	C10 H14 O	P 21 21 21	4.5362; 12.2286; 16.2915 90; 90; 90	903.712	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101961	CIF	C10 H14 O	R -3 :H	22.7159; 22.7159; 9.2069 90; 90; 120	4114.38	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101962	CIF	C10 H14 O	P 21 21 21	23.2015; 8.6198; 4.5444 90; 90; 90	908.845	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101963	CIF	C10 H14 O	P 21 21 21	12.1203; 16.1584; 4.6365 90; 90; 90	908.034	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101964	CIF	C10 H14 O	C 1 2/c 1	17.8291; 4.5894; 24.0942 90; 69.6837; 90	1848.86	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101965	CIF	C10 H14 O	P 1 21/a 1	17.1957; 4.6403; 12.03 90; 109.939; 90	902.369	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101966	CIF	C10 H14 O	I 1 2/a 1	22.8234; 4.7105; 17.6462 90; 73.2208; 90	1816.36	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101967	CIF	C10 H14 O	C 1 2/c 1	26.4489; 4.6486; 16.7492 90; 116.586; 90	1841.57	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101968	CIF	C10 H14 O	P 1 21/a 1	19.9525; 4.5351; 11.0565 90; 68.2256; 90	929.083	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101969	CIF	C10 H14 O	I 1 2/a 1	24.2387; 4.6525; 18.1098 90; 115.793; 90	1838.79	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101970	CIF	C10 H14 O	C 1 2/c 1	24.4512; 4.6442; 16.7109 90; 105.874; 90	1825.26	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4101971	CIF	C10 H14 O	P 1 21/n 1	12.5972; 4.7007; 16.3407 90; 109.644; 90	911.31	Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566
4123577	CIF	C10 H14 O2	P 1 21 1	7.2838; 7.068; 8.6698 90; 100.133; 90	439.38	Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights. Journal of the American Chemical Society, 2015, 137, 6327-6334
4127758	CIF	C10 H14 O3	P 1 21 1	6.9327; 7.3133; 8.9299 90; 95.124; 90	450.94	Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study. Journal of the American Chemical Society, 2019, 141, 12770-12779
4127342	CIF	C10 H14 O4	C 1 2/c 1	21.1666; 7.7501; 12.954 90; 108.914; 90	2010.28	Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin. Journal of the American Chemical Society, 2019, 141, 8372-8380
4130770	CIF	C10 H14 O4	P 1 21/c 1	5.9569; 10.5931; 15.0785 90; 91.0247; 90	951.33	Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols. Journal of the American Chemical Society, 2016, 138, 10693-10699
4125096	CIF	C10 H14 O5	P 1 21/c 1	3.9342; 27.324; 9.9305 90; 96.314; 90	1061	Li, Gang; Kuo, Jonathan L.; Han, Arthur; Abuyuan, Janine M.; Young, Lily C.; Norton, Jack R.; Palmer, Joshua H. Radical Isomerization and Cycloisomerization Initiated by H• Transfer. Journal of the American Chemical Society, 2016, 138, 7698-7704
4104384	CIF	C10 H15 B Cl N Zr	P 1 21/c 1	8.1; 10.792; 15.087 90; 119.12; 90	1152.14	Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes Journal of the American Chemical Society, 2009, 131, 6689-6691
4108297	CIF	C10 H15 B Cl2 F4 Fe2 N O5 P S2	P -1	10.523; 14.085; 15.516 97.095; 101.417; 90.182	2236.1	Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site Journal of the American Chemical Society, 2008, 130, 12021-12030
4126568	CIF	C10 H15 B F3 N	P 1 21/n 1	7.546; 12.6; 11.855 90; 105.288; 90	1087.3	Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation. Journal of the American Chemical Society, 2017
4126078	CIF	C10 H15 B10 N O2	P 1 21/n 1	11.5496; 6.8211; 18.6932 90; 94.936; 90	1467.21	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126079	CIF	C10 H15 B10 N O2	P 1 21/c 1	7.0828; 7.5414; 27.6234 90; 96.54; 90	1465.88	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126080	CIF	C10 H15 B10 N O2	P 1 21/n 1	6.8825; 34.5844; 12.4876 90; 93.418; 90	2967.1	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4114677	CIF	C10 H15 Cl2 Cr O	P -1	6.3902; 8.5992; 11.0202 85.291; 86.502; 89.568	602.4	James S. Hess; Somying Leelasubcharoen; Arnold L. Rheingold; Douglas J. Doren; Klaus H. Theopold Spin Surface Crossing in Chromium-Mediated Olefin Epoxidation with O2 Journal of the American Chemical Society, 2002, 124, 2454-2455
4119855	CIF	C10 H15 F3 O5 S	P 1 21/c 1	8.9055; 9.8677; 14.8112 90; 107.445; 90	1241.7	Gorkem Gunbas; William L. Sheppard; James C. Fettinger; Marilyn M. Olmstead; Mark Mascal Extreme Oxatriquinanes: Structural Characterization of α-Oxyoxonium Species with Extraordinarily Long Carbon-Oxygen Bonds Journal of the American Chemical Society, 2013, 135, 8173-8176
4123249	CIF	C10 H15 N O	P n m a	12.744; 6.6351; 10.4218 90; 90; 90	881.2	Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J. The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion. Journal of the American Chemical Society, 2015, 137, 926-930
4102644	CIF	C10 H15 N O2	P -1	6.8952; 8.7695; 8.9826 69.553; 72.897; 80.674	485.36	Gardner S. Creech; Ohyun Kwon Tandem 6π-Electrocyclization and Cycloaddition of Nitrodienes to Yield Multicyclic Nitroso Acetals Journal of the American Chemical Society, 2010, 132, 8876-8877
4113959	CIF	C10 H15 N O2 S2	P 21 21 21	5.286; 7.6575; 29.617 90; 90; 90	1198.8	David A. Evans; C. Wade Downey; Jed L. Hubbs Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates Journal of the American Chemical Society, 2003, 125, 8706-8707
4125729	CIF	C10 H15 N O3	P 21 21 21	6.7401; 11.1362; 13.6362 90; 90; 90	1023.52	Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J. Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands. Journal of the American Chemical Society, 2017, 139, 1412-1415
4129039	CIF	C10 H15 N O3 S	P 1 21 1	9.491; 6.116; 9.9296 90; 101.54; 90	564.73	Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua 4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization. Journal of the American Chemical Society, 2019, 141, 4928-4935
4118012	CIF	C10 H15 N O6	P 1 21 1	7.8901; 11.4722; 12.9352 90; 91.536; 90	1170.43	Kyle L. Kimmel; Jimmie D. Weaver; Melissa Lee; Jonathan A. Ellman Catalytic Enantioselective Protonation of Nitronates Utilizing an Organocatalyst Chiral Only at Sulfur Journal of the American Chemical Society, 2012, 134, 9058-9061
4121755	CIF	C10 H16 B Cl N2 O2	P -1	7.6158; 8.4994; 10.1588 75.01; 78.014; 73.334	602.15	Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S. Palau'chlor: A Practical and Reactive Chlorinating Reagent. Journal of the American Chemical Society, 2014, 136, 6908-6911
4104383	CIF	C10 H16 B N Zr	P 1 21/c 1	7.984; 14.837; 10.305 90; 117.83; 90	1079.52	Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes Journal of the American Chemical Society, 2009, 131, 6689-6691
4121847	CIF	C10 H16 B10	P 1 21/c 1	24.5147; 7.0276; 17.2539 90; 110.603; 90	2782.4	Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics. Journal of the American Chemical Society, 2014, 136, 7599-7602
4127707	CIF	C10 H16 B10 F N O	C 1 2/c 1	33.7489; 13.4301; 24.9712 90; 116.232; 90	10152.6	Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone. Journal of the American Chemical Society, 2019, 141, 12855-12862
4134949	CIF	C10 H16 Br N O2	P 21 21 21	5.9297; 9.0915; 19.9795 90; 90; 90	1077.09	Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G. Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy. Journal of the American Chemical Society, 2020, 142, 9850-9857
4111146	CIF	C10 H16 Cl N O2 S	P 21 21 21	6.8389; 8.3595; 21.712 90; 90; 90	1241.27	Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights Journal of the American Chemical Society, 2006, 128, 15236-15247
4131928	CIF	C10 H16 Cl2 Cu N16 O6	C 1 2/c 1	14.6638; 8.9883; 16.3538 90; 90.324; 90	2155.44	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4131929	CIF	C10 H16 Cl2 Cu N16 O6	P -1	6.7837; 8.182; 10.1959 108.068; 101.188; 90.137	526.6	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4119556	CIF	C10 H16 Co K N8	P 4/m n c	8.242; 8.242; 11.584 90; 90; 90	786.9	Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233
4119557	CIF	C10 H16 Co K N8	P 4/m n c	8.2895; 8.2895; 11.621 90; 90; 90	798.5	Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233
4128539	CIF	C10 H16 Fe2 N S4	I 41/a :2	17.1853; 17.1853; 20.4819 90; 90; 90	6049.01	Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S. Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters. Journal of the American Chemical Society, 2019, 141, 3940-3951
1100296	CIF	C10 H16 Li N O	P 1 21/c 1	11.493; 9.567; 19.636 90; 93.18; 90	2155.72	Boche, Gernot; Harms, Klaus; Marsch, Michael X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom Journal of the American Chemical Society, 1988, 110, 6925-6926
4129065	CIF	C10 H16 N O	P b c a	12.98637; 11.75812; 11.72942 90; 90; 90	1791.03	Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis. Journal of the American Chemical Society, 2019
4120264	CIF	C10 H16 N2 O2	P 21 21 21	8.44; 8.862; 13.239 90; 90; 90	990.2	Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins Journal of the American Chemical Society, 2013, 135, 11996-12003
4118530	CIF	C10 H16 N6 O4 S	P -1	8.7; 20.0767; 23.68 97.662; 91.72; 90.016	4097.3	Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W. Multicomponent Assembly of Proposed DNA Precursors in Water Journal of the American Chemical Society, 2012, 134, 13889-13895
4123578	CIF	C10 H16 O2	P 32	18.8316; 18.8316; 6.8064 90; 90; 120	2090.37	Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights. Journal of the American Chemical Society, 2015, 137, 6327-6334
4123667	CIF	C10 H16 O2	P 43 21 2	7.8391; 7.8391; 30.7247 90; 90; 90	1888.08	Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights. Journal of the American Chemical Society, 2015, 137, 6327-6334
4123668	CIF	C10 H16 O2	P 43	7.7371; 7.7371; 30.9059 90; 90; 90	1850.11	Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights. Journal of the American Chemical Society, 2015, 137, 6327-6334
4100370	CIF	C10 H16 O3	P 1 21/n 1	12.012; 6.8002; 13.1662 90; 115.748; 90	968.69	Katsuhiko Tomooka Journal of the American Chemical Society, 2005
4107602	CIF	C10 H16 O3	P -1	6.945; 7.426; 10.987 85.366; 86.896; 63.74	506.4	Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation Journal of the American Chemical Society, 2008, 130, 3760-3761
4123665	CIF	C10 H16 O3	P 1 21 1	6.94; 12.1429; 11.5499 90; 93.316; 90	971.7	Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights. Journal of the American Chemical Society, 2015, 137, 6327-6334
4123666	CIF	C10 H16 O3	P 1 21 1	7.3713; 10.8358; 11.8516 90; 91.104; 90	946.46	Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights. Journal of the American Chemical Society, 2015, 137, 6327-6334
4123669	CIF	C10 H16 O3	P 21 21 21	8.294; 9.0364; 12.17 90; 90; 90	912.12	Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights. Journal of the American Chemical Society, 2015, 137, 6327-6334
4126662	CIF	C10 H16 O4	P 31	12.007; 12.007; 6.4662 90; 90; 120	807.3	Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization. Journal of the American Chemical Society, 2017
4119729	CIF	C10 H16 O7	P 1	8.2828; 8.5783; 12.4406 80.819; 87.674; 89.574	871.89	Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley Polycarbonates Derived from Glucose via an Organocatalytic Approach Journal of the American Chemical Society, 2013, 135, 6826-6829
4129372	CIF	C10 H16.5 Br Cl O1.25	P 21 21 2	16.4144; 23.4402; 5.9992 90; 90; 90	2308.2	Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z. Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols. Journal of the American Chemical Society, 2015, 137, 3795-3798
4100980	CIF	C10 H17 B F4 N4 O3	P n m a	6.5925; 10.6552; 21.296 90; 90; 90	1495.93	Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko Journal of the American Chemical Society, 2005
4120334	CIF	C10 H17 B7 Fe	P -1	6.5321; 8.0627; 12.6859 73.519; 84.233; 77.446	624.81	Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes Journal of the American Chemical Society, 2013, 135, 12407-12413
4114172	CIF	C10 H17 Br5 N2	P 1 21/c 1	7.6795; 12.9359; 16.5349 90; 101.481; 90	1609.73	Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons Journal of the American Chemical Society, 2003, 125, 11597-11606
4108596	CIF	C10 H17 Co N O7 P2	P 1 21/c 1	8.354; 29.211; 6.2171 90; 110.621; 90	1419.9	Andrei V. Palii; Oleg S. Reu; Sergei M. Ostrovsky; Sophia I. Klokishner; Boris S. Tsukerblat; Zhong-Ming Sun; Jiang-Gao Mao; Andrey V. Prosvirin; Han-Hua Zhao; Kim R. Dunbar A Highly Anisotropic Cobalt(II)-Based Single-Chain Magnet: Exploration of Spin Canting in an Antiferromagnetic Array Journal of the American Chemical Society, 2008, 130, 14729-14738
4110130	CIF	C10 H17 Cr Mn N8 O2	P 1 21/n 1	7.681; 14.498; 16.598 90; 97.326; 90	1833.3	Wakako Kaneko; Masaaki Ohba; Susumu Kitagawa A Flexible Coordination Polymer Crystal Providing Reversible Structural and Magnetic Conversions Journal of the American Chemical Society, 2007, 129, 13706-13712
4112226	CIF	C10 H17 N O3	P 1 21/n 1	12.198; 6.272; 14.501 90; 107.04; 90	1060.7	Frederick A. Villamena; Christopher M. Hadad; Jay L. Zweier Theoretical Study of the Spin Trapping of Hydroxyl Radical by Cyclic Nitrones: A Density Functional Theory Approach Journal of the American Chemical Society, 2004, 126, 1816-1829
4107689	CIF	C10 H17 N O4 S	C 1 2/c 1	27.957; 7.6891; 11.327 90; 98.949; 90	2405.3	Aaron R. Thornton; Simon B. Blakey Catalytic Metallonitrene/Alkyne Metathesis: A Powerful Cascade Process for the Synthesis of Nitrogen-Containing Molecules Journal of the American Chemical Society, 2008, 130, 5020-5021
4110202	CIF	C10 H17 N3 O3 S	P n m a	20.044; 7.464; 8.63 90; 90; 90	1291.1	Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660
4110203	CIF	C10 H17 N3 O3 S	P n m a	18.513; 7.4798; 9.3991 90; 90; 90	1301.5	Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660
4110233	CIF	C10 H17 N3 O3 S	P b c a	14.501; 12.686; 47.584 90; 90; 90	8754	Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660
4128453	CIF	C10 H18 B Cl O2	P -1	7.339; 7.6739; 11.4931 105.065; 95.119; 114.634	553.57	Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z. Enantioselective Synthesis of Azamerone. Journal of the American Chemical Society, 2019, 141, 2867-2871
4122136	CIF	C10 H18 B Cl3 Ga Mo N O4 Si2	P 21 21 21	12.0364; 12.668; 14.0217 90; 90; 90	2138	Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds. Journal of the American Chemical Society, 2014, 136, 9560-9563
4107994	CIF	C10 H18 B Cu F3 N2	P -1	8.249; 9.803; 16.222 84.265; 86.712; 83.729	1296	Galyna G. Dubinina; Hideki Furutachi; David A. Vicic Active Trifluoromethylating Agents from Well-Defined Copper(I)-CF3 Complexes Journal of the American Chemical Society, 2008, 130, 8600-8601
4123503	CIF	C10 H18 B10	P 1 21/n 1	10.246; 13.688; 10.528 90; 91.892; 90	1475.7	Quan, Yangjian; Xie, Zuowei Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation. Journal of the American Chemical Society, 2015, 150310140942007
4127482	CIF	C10 H18 B10 Cl N O	P -1	10.2815; 12.6911; 13.9103 92.039; 109.668; 104.582	1639.64	Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via "Cage-Walking" Strategy. Journal of the American Chemical Society, 2019, 141, 4219-4224
4106286	CIF	C10 H18 Br Li N2 O4	P 41 21 2	9.1703; 9.1703; 15.5694 90; 90; 90	1309.3	Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227
4106288	CIF	C10 H18 Cl Li N2 O4	P 41 21 2	9.0791; 9.0791; 15.4104 90; 90; 90	1270.28	Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227
4127410	CIF	C10 H18 Cl2 Sn2	P b c a	6.626; 19.1358; 24.4346 90; 90; 90	3098.2	Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex. Journal of the American Chemical Society, 2019, 141, 11000-11003
4115015	CIF	C10 H18 Cl4 Pt Si2	P b c n	8.26; 16.961; 11.406 90; 90; 90	1598	Aroop K. Roy; Richard B. Taylor The First Alkene-Platinum-Silyl Complexes: Lifting the Hydrosilation Mechanism Shroud with Long-Lived Precatalytic Intermediates and True Pt Catalysts Journal of the American Chemical Society, 2002, 124, 9510-9524
4117582	CIF	C10 H18 F6 O10 S2 Sn	P 1 21/n 1	8.7518; 16.127; 14.8106 90; 101.022; 90	2051.8	Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands Journal of the American Chemical Society, 2012, 134, 4332-4345
4115762	CIF	C10 H18 F8 I2 N3 O P	P c a 21	20.312; 8.679; 12.045 90; 90; 90	2123	Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction Journal of the American Chemical Society, 2001, 123, 11069-11070
4106291	CIF	C10 H18 Li N3 O7	P 21 21 21	11.0448; 12.0393; 20.2019 90; 90; 90	2686.28	Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227
4106292	CIF	C10 H18 Li N3 O7	P 21 21 21	9.5219; 9.5664; 15.0812 90; 90; 90	1373.8	Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227
4106451	CIF	C10 H18 N2 O14 Zn2	P -1	6.722; 8.897; 9.501 62.779; 88.615; 71.692	474.9	Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework Journal of the American Chemical Society, 2011, 133, 11050-11053
4117828	CIF	C10 H18 N2 O3	P 1 21/c 1	10.3706; 9.6865; 11.846 90; 93.873; 90	1187.3	Maréva Fèvre; Julien Pinaud; Alexandre Leteneur; Yves Gnanou; Joan Vignolle; Daniel Taton; Karinne Miqueu; Jean-Marc Sotiropoulos Imidazol(in)ium Hydrogen Carbonates as a Genuine Source of N-Heterocyclic Carbenes (NHCs): Applications to the Facile Preparation of NHC Metal Complexes and to NHC-Organocatalyzed Molecular and Macromolecular Syntheses Journal of the American Chemical Society, 2012, 134, 6776-6784
4116327	CIF	C10 H18 N2 O4 P2	C 1 2/c 1	14.6181; 8.3199; 11.878 90; 115.877; 90	1299.77	Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides Journal of the American Chemical Society, 1999, 121, 1658-1664
4130278	CIF	C10 H18 N4 O	P 1 21/c 1	11.2054; 5.6226; 17.6834 90; 93.73; 90	1111.76	Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation. Journal of the American Chemical Society, 2016, 138, 5403-5409
4112824	CIF HKL	C10 H18 O S2	P 1 21/c 1	8.786; 12.028; 11.204 90; 92.372; 90	1183	Kentaro Okuma; Toshiyuki Shigetomi; Yoshinori Nibu; Kosei Shioji; Masato Yoshida; Yoshinobu Yokomori Synthesis of Isolable Thiirane-2-thione (α-Dithiolactone) from Thioketene S-Oxide Journal of the American Chemical Society, 2004, 126, 9508-9509
4108581	CIF	C10 H18 O2	P 1 21 1	5.3896; 9.8022; 9.3448 90; 90.939; 90	493.62	Bruce H. Lipshutz; Benjamin Amorelli; John B. Unger CuH-Catalyzed Enantioselective Intramolecular Reductive Aldol Reactions Generating Three New Contiguous Asymmetric Stereocenters Journal of the American Chemical Society, 2008, 130, 14378-14379
4105370	CIF	C10 H18 O4	P 1 21 1	6.0434; 8.5691; 10.8387 90; 95.146; 90	559.04	Morris Markert; Ulf Scheffler; Rainer Mahrwald Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers Journal of the American Chemical Society, 2009, 131, 16642-16643
4116147	CIF	C10 H18 O4	P 1 21/c 1	10.9106; 5.0109; 9.7936 90; 93.451; 90	534.46	Venkat R. Thalladi; Markus Nüsse; Roland Boese The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids Journal of the American Chemical Society, 2000, 122, 9227-9236
4114873	CIF	C10 H18 O6 Sn3	P 21 21 21	21.4033; 24.3825; 24.4347 90; 90; 90	12751.6	Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters Journal of the American Chemical Society, 2002, 124, 6904-6913
4101452	CIF	C10 H19 B11	P c a 21	29.9835; 6.9576; 14.8049 90; 90; 90	3088.5	Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes. Journal of the American Chemical Society, 2006, 128, 5219-5230
4132333	CIF	C10 H19 Br O2	C 1 2 1	24.997; 5.1956; 18.1896 90; 104.221; 90	2290	Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L. Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents. Journal of the American Chemical Society, 2018, 140, 7052-7055
4106933	CIF	C10 H19 Br O3	P 1 21/c 1	15.255; 8.603; 8.606 90; 95.675; 90	1123.9	Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers Journal of the American Chemical Society, 2011, 133, 15898-15901
4113583	CIF	C10 H19 Cl N2 O12	P -1	5.5253; 7.169; 10.823 81.321; 88.518; 76.042	411.3	Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems Journal of the American Chemical Society, 2003, 125, 3631-3641
4107940	CIF	C10 H19 Cl N2 O7	P 1 21 1	4.919; 7.856; 18.784 90; 91.27; 90	725.7	Mohamed Mohamed Naseer Ali; Udayanath Aich; Babu Varghese; Anne Imberty Conformational Preferences of the Aglycon Moiety in Models and Analogs of GlcNAc-Asn Linkage: Crystal Structures and ab Initio Quantum Chemical Calculations of N-(β-d-Glycopyranosyl)haloacetamides Journal of the American Chemical Society, 2008, 130, 8317-8325
4113581	CIF	C10 H19 N O4	P b c a	8.412; 9.589; 28.063 90; 90; 90	2263.6	Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems Journal of the American Chemical Society, 2003, 125, 3631-3641
4111666	CIF	C10 H2 F12 O4 Zn	C 1 2/c 1	20.3991; 7.8389; 20.312 90; 109.276; 90	3065.9	Evgeny V. Dikarev; Haitao Zhang; Bo Li Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates Journal of the American Chemical Society, 2005, 127, 6156-6157
4102710	CIF	C10 H20 B10 O	P -1	7.8439; 9.9497; 11.2367 101.613; 108.27; 100.565	786.55	Sunewang R. Wang; Zaozao Qiu; Zuowei Xie Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes Journal of the American Chemical Society, 2010, 132, 9988-9989
4102711	CIF	C10 H20 B10 O	P 1 21/n 1	6.9769; 12.9283; 17.4054 90; 94.134; 90	1565.87	Sunewang R. Wang; Zaozao Qiu; Zuowei Xie Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes Journal of the American Chemical Society, 2010, 132, 9988-9989
4125151	CIF	C10 H20 B10 O	P 1 21/n 1	8.6489; 13.1773; 13.8649 90; 94.794; 90	1574.64	Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M. B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes. Journal of the American Chemical Society, 2016, 138, 9081-9084
4125155	CIF	C10 H20 B10 O	P 21 21 21	7.6501; 13.2544; 15.2454 90; 90; 90	1545.85	Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M. B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes. Journal of the American Chemical Society, 2016, 138, 9081-9084
4126073	CIF	C10 H20 B10 O	P -1	11.7531; 14.5081; 20.6459 104.277; 99.855; 110.189	3072.4	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126074	CIF	C10 H20 B10 O	P 1 21/c 1	11.0205; 18.651; 7.7745 90; 103.99; 90	1550.6	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126075	CIF	C10 H20 B10 O	P -1	11.895; 15.005; 20.362 105.498; 99.46; 110.281	3149.5	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126076	CIF	C10 H20 B10 O	P 21 21 21	7.834; 13.872; 14.386 90; 90; 90	1563.37	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4126077	CIF	C10 H20 B10 O	P 1 21/n 1	8.6489; 13.1773; 13.8649 90; 94.794; 90	1574.64	Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017
4103972	CIF	C10 H20 Cl O2 P	P c a 21	25.078; 7.7656; 11.962 90; 90; 90	2329.5	Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties Journal of the American Chemical Society, 2009, 131, 3078-3092
4131925	CIF	C10 H20 Cl2 Cu N16 O8	C 1 2/c 1	15.0672; 9.0113; 17.5426 90; 97.696; 90	2360.39	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209
4101196	CIF	C10 H20 Cl3 Ge N2 P	P n m a	12.964; 17.3985; 7.3944 90; 90; 90	1667.84	Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides Journal of the American Chemical Society, 2006
4101197	CIF	C10 H20 Cl3 N2 P Sn	P n m a	12.7132; 17.4583; 7.7723 90; 90; 90	1725.07	Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides Journal of the American Chemical Society, 2006
4104218	CIF	C10 H20 Cl3 Nb O2	P -1	6.9774; 7.2895; 15.4878 79.058; 78.262; 71.287	723.87	Rocío Arteaga-Müller; Hayato Tsurugi; Teruhiko Saito; Masao Yanagawa; Seiji Oda; Kazushi Mashima New Tantalum Ligand-Free Catalyst System for Highly Selective Trimerization of Ethylene Affording 1-Hexene: New Evidence of a Metallacycle Mechanism Journal of the American Chemical Society, 2009, 131, 5370-5371
4134273	CIF	C10 H20 F4 I4 N2 Pb	A e a 2	9.2974; 25.1758; 8.9611 90; 90; 90	2097.52	Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020
4134277	CIF	C10 H20 F4 I4 N2 Pb	A e a 2	9.2541; 25.0703; 8.9483 90; 90; 90	2076.03	Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020
4134282	CIF	C10 H20 F4 I4 N2 Pb	A e a 2	9.3456; 25.3587; 9.0113 90; 90; 90	2135.61	Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020
4112931	CIF	C10 H20 Fe N3 O S2	P 1 21/n 1	7.665; 23.861; 7.803 90; 112.869; 90	1314.9	Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2 Journal of the American Chemical Society, 2004, 126, 10867-10874
4128404	CIF	C10 H20 Mn N9	P 21 21 21	7.5991; 9.5866; 20.193 90; 90; 90	1471.1	Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J. Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand. Journal of the American Chemical Society, 2019, 141, 5699-5709
4125865	CIF	C10 H20 N2 O S4 V	P 1 21/c 1	12.7241; 13.8775; 9.4376 90; 105.076; 90	1609.12	Atzori, Matteo; Tesi, Lorenzo; Benci, Stefano; Lunghi, Alessandro; Righini, Roberto; Taschin, Andrea; Torre, Renato; Sorace, Lorenzo; Sessoli, Roberta Spin Dynamics and Low Energy Vibrations: Insights from Vanadyl-Based Potential Molecular Qubits. Journal of the American Chemical Society, 2017, 139, 4338-4341
4101257	CIF	C10 H20 N2 O3	P 61	14.573; 14.573; 10.354 90; 90; 120	1904.3	Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society, 2006, 128, 6737-6744
4125573	CIF	C10 H20 N2 Se	P b c a	11.4233; 10.80265; 18.95402 90; 90; 90	2338.96	Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305
4100247	CIF	C10 H20 N4 O8	P 1 21 1	4.8451; 18.326; 8.678 90; 104.029; 90	747.5	Journal of the American Chemical Society, 2005
4126564	CIF	C10 H20 O18 P4 Pr	P 1 21/c 1	5.964; 18.27; 18.965 90; 95.62; 90	2056.5	Wong, Norman E.; Ramaswamy, Padmini; Lee, Andrew; Gelfand, Benjamin S.; Bladek, Kamila; Taylor, Jared M.; Spasyuk, Denis; Shimizu, George K. H. Tuning Intrinsic and Extrinsic Proton Conduction in Metal-Organic Frameworks by the Lanthanide Contraction. Journal of the American Chemical Society, 2017
4125156	CIF	C10 H21 B10 N O2	P -1	12.7259; 12.9299; 20.6344 100.156; 98.573; 96.338	3272	Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M. B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes. Journal of the American Chemical Society, 2016, 138, 9081-9084
4130812	CIF	C10 H21 B10 N O2 S	C 1 2/c 1	24.2592; 7.3926; 19.8972 90; 98.5493; 90	3528.7	Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines. Journal of the American Chemical Society, 2016, 138, 12727-12730
4130813	CIF	C10 H21 B10 N O3 S	C 1 2/c 1	25.0743; 7.4905; 19.9945 90; 101.104; 90	3685	Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines. Journal of the American Chemical Society, 2016, 138, 12727-12730
4112932	CIF	C10 H21 Fe N4 O2 S2	P b c a	16.448; 12.384; 28.996 90; 90; 90	5906	Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2 Journal of the American Chemical Society, 2004, 126, 10867-10874
4119791	CIF	C10 H21 N O2	P n m a	19.6025; 11.5901; 9.6145 90; 90; 90	2184.37	Yanfeng Jiang; Olivier Blacque; Thomas Fox; Heinz Berke Catalytic CO2 Activation Assisted by Rhenium Hydride/B(C6F5)3 Frustrated Lewis Pairs-Metal Hydrides Functioning as FLP Bases Journal of the American Chemical Society, 2013, 135, 7751-7760
4121604	CIF	C10 H21 N2 O0.5	C 1 2/c 1	22.675; 6.1256; 16.5599 90; 113.194; 90	2114.2	Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand. Journal of the American Chemical Society, 2014, 136, 4829-4832
4104484	CIF	C10 H22 Br F6 N O2 P2 Si	P 1 21/c 1	16.0802; 9.2065; 15.4421 90; 111.208; 90	2131.26	Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+ Journal of the American Chemical Society, 2009, 131, 7905-7916
4106290	CIF	C10 H22 Li N3 O7	P 1 21/c 1	16.0472; 8.4767; 10.8836 90; 103.731; 90	1438.2	Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227
4121605	CIF	C10 H22 N2 O	C 1 2/c 1	15.671; 5.0499; 13.9788 90; 90.849; 90	1106.1	Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand. Journal of the American Chemical Society, 2014, 136, 4829-4832
4111048	CIF	C10 H23 N3 O11 P2	P 1 21/c 1	8.6608; 14.173; 15.231 90; 102.704; 90	1823.8	Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes Journal of the American Chemical Society, 2006, 128, 14485-14497
4125101	CIF	C10 H23 N3 O3	P 21 21 21	8.1091; 9.773; 16.327 90; 90; 90	1293.9	Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J. Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling. Journal of the American Chemical Society, 2016, 138, 7939-7945
4105995	CIF	C10 H24 B10 O2	C 1 2/c 1	28.0596; 7.3777; 17.1759 90; 112.127; 90	3293.8	Sunewang R. Wang; Zaozao Qiu; Zuowei Xie Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers Journal of the American Chemical Society, 2011, 133, 5760-5763
4119270	CIF	C10 H24 B2 N4	P -1	8.3848; 11.5802; 14.6971 86.343; 84.661; 71.837	1349.15	Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity Journal of the American Chemical Society, 2013, 135, 1903-1911
4133889	CIF	C10 H24 Br4 N2 O2 Pb	C m c 21	26.972; 8.9027; 7.9566 90; 90; 90	1910.6	Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient. Journal of the American Chemical Society, 2019
4133890	CIF	C10 H24 Br4 N2 O2 Pb	C m c 21	26.89; 8.8834; 8.0708 90; 90; 90	1927.9	Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient. Journal of the American Chemical Society, 2019
4116392	CIF	C10 H24 Cl Fe N10 O4	P 1 21/c 1	13.641; 8.851; 15.266 90; 99.53; 90	1817.7	Karsten Meyer; Eckhard Bill; Bernd Mienert; Thomas Weyhermüller; Karl Wieghardt Photolysis of cis- and trans-[FeIII(cyclam)(N3)2]+ Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species Journal of the American Chemical Society, 1999, 121, 4859-4876
4116781	CIF	C10 H24 Cl Mn N10 O4	P -1	9.462; 9.511; 11.434 79.45; 81.07; 63.5	902.1	Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands Journal of the American Chemical Society, 1998, 120, 7260-7270
4115996	CIF	C10 H24 Cl2 Fe N5 O5	P b c a	13.01; 10.853; 23.692 90; 90; 90	3345.3	Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy Journal of the American Chemical Society, 2000, 122, 4352-4365
4116783	CIF	C10 H24 Cl2 Mn N5 O4	P b c a	13.101; 10.896; 23.203 90; 90; 90	3312.2	Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands Journal of the American Chemical Society, 1998, 120, 7260-7270
4116785	CIF	C10 H24 Cl2 Mn N5 O8	P 1 21/c 1	9.378; 13.134; 15.158 90; 99.88; 90	1839.3	Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands Journal of the American Chemical Society, 1998, 120, 7260-7270