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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1010849	CIF	H4 O7 Pb5		5.93; 4.65; 6.36 90; 105.78; 90	168.8	Clark, G L; Tyler, W P On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides Journal of the American Chemical Society, 1939, 61, 58-65
1010850	CIF	Cr H24 O20 S2 Tl		12.238; 12.238; 12.238 90; 90; 90	1832.9	Klug, H P Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums Journal of the American Chemical Society, 1940, 62, 2992-2993
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
1010856	CIF	H18 I2 N6 Ni		11.01; 11.01; 11.01 90; 90; 90	1334.6	Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245
4124110	CIF	C14 Co6 O14 S4	A -1	11.78; 18; 14.9 69.62; 86.7; 65.52	2681.43	Stevenson, D.L.; Dahl, L.F.; Magnuson, V.R. Organometallic Sulfur Complexes. IX. Structure of a Hexanuclear Cobalt Carbonyl Sulfur Complex, (S Co3 (C O)7)2 S2, Containing a Tetrametal-Coordinated Bridginq Disulfide Group Journal of the American Chemical Society, 1967, 89, 3727-3732
4123973	CIF	Nb12 O29	A 1 2/m 1	15.6856; 3.8307; 20.7098 90; 113.056; 90	1144.99	Waldron, J.E.L.; Green, M.A.; Neumann, D.A. Charge and spin ordering in monoclinic Nb12 O29 Journal of the American Chemical Society, 2001, 123, 5833-5834
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
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
4131513	CIF	C8 H32 Cl10 N4 Pb3	A 21 m a	8.024; 45.498; 8.08 90; 90; 90	2950	Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G. Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>. Journal of the American Chemical Society, 2017, 139, 11956-11963
4100318	CIF	C44 H103 Cl12 Fe10 N15	A b a 2	43.523; 23.303; 15.201 90; 90; 90	15417	Journal of the American Chemical Society, 2005
4101011	CIF	C23 H14 Cr N2 O9	A b a 2	24.13; 12.02; 16.008 90; 90; 90	4643	Journal of the American Chemical Society, 2006
4102736	CIF	C53 H54 N4 O8 S2	A b a 2	10.31; 35.917; 12.402 90; 90; 90	4593	Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability Journal of the American Chemical Society, 2010, 132, 10498-10512
4105011	CIF	C66 H150 Fe8 N6 O3 S9 Si8	A b a 2	26.522; 28.749; 26.062 90; 90; 90	19872	Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster Journal of the American Chemical Society, 2009, 131, 13168-13178
4105013	CIF	C62 H140 Cl2 Fe8 N6 O2.5 S9 Si8	A b a 2	26.503; 29.012; 26.224 90; 90; 90	20164	Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster Journal of the American Chemical Society, 2009, 131, 13168-13178
4105014	CIF	C64 H144 Br2 Fe8 N6 O3 S9 Si8	A b a 2	26.201; 28.989; 26.46 90; 90; 90	20097	Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster Journal of the American Chemical Society, 2009, 131, 13168-13178
4105838	CIF	Ga Pr4 S9 Sb	A b a 2	13.799; 14.187; 14.323 90; 90; 90	2804	Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR Journal of the American Chemical Society, 2011, 133, 4617-4624
4105839	CIF	Ga Nd4 S9 Sb	A b a 2	13.759; 14.113; 14.3 90; 90; 90	2776.8	Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR Journal of the American Chemical Society, 2011, 133, 4617-4624
4105840	CIF	Ga S9 Sb Sm4	A b a 2	13.64; 13.983; 14.166 90; 90; 90	2701.9	Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR Journal of the American Chemical Society, 2011, 133, 4617-4624
4105841	CIF	Ga Gd4 S9 Sb	A b a 2	13.5733; 13.8956; 14.0982 90; 90; 90	2659	Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR Journal of the American Chemical Society, 2011, 133, 4617-4624
4105842	CIF	Ga S9 Sb Tb4	A b a 2	13.53; 13.85; 14.05 90; 90; 90	2632.8	Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR Journal of the American Chemical Society, 2011, 133, 4617-4624

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