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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1548155	CIF	C36 H52 Cl Fe N2 O2	P 1 21/c 1	13.6653; 23.8896; 10.7995 90; 99.536; 90	3476.9	Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation Macromolecules, 2017, 50, 9188
1548156	CIF	C32 H46 Cl Fe N2 O2	P c c n	15.5968; 38.1771; 11.0526 90; 90; 90	6581.2	Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation Macromolecules, 2017, 50, 9188
1548157	CIF	C30 H44 N6 O12 S2 Zn2	P -4 21 c	20.4693; 20.4693; 19.1467 90; 90; 90	8022.32	Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst Catalysis Science & Technology, 2018, 8, 335
1548158	CIF	C23 H35 N O2 S	P 1 21/c 1	21.7729; 10.4524; 9.7642 90; 88.212; 90	2221	M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793
1548159	CIF	C23 H35 N O2 S	P 1 21/c 1	11.2235; 9.8526; 20.7922 90; 88.74; 90	2298.66	M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793
1548160	CIF	C23 H35 N O2 S	P 1 21/c 1	11.181; 9.809; 20.71 90; 88.545; 90	2271	M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793
1548161	CIF	C23 H35 N O2 S	P 1 21/c 1	10.697; 9.84; 20.854 90; 90.15; 90	2195.1	M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793
1548162	CIF	C81 H65 Au4 B Cl3 F4 N P4	P 1 21/n 1	17.579; 17.158; 25.46 90; 101.8; 90	7517	Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums Nature Communications, 2016, 7, 11489
1548163	CIF	C69 H55 Au3 B Cl3 F4 N P3	P -1	17.519; 19.67; 20.326 76.07; 81.79; 72.44	6463	Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums Nature Communications, 2016, 7, 11489
1548164	CIF	C63 H56 Au3 B Cl3 F4 N P3 Si	P -1	10.506; 16.748; 19.375 67.55; 89.98; 89.81	3150.7	Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums Nature Communications, 2016, 7, 11489
1548165	CIF	C156 H124 Au8 B2 Cl6 F8 N2 P8	P 1 21/n 1	13.435; 15.565; 35.747 90; 97.59; 90	7410	Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums Nature Communications, 2016, 7, 11489
1548166	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.8533; 25.995; 8.1782 90; 100.741; 90	2058	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548167	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.865; 25.934; 8.172 90; 100.762; 90	2053.9	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548168	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.8591; 26.027; 8.1886 90; 100.676; 90	2064.8	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548169	CIF	C16 H17 N7 O8 Zn	P 1 21/c 1	9.801; 27.12; 7.7592 90; 101.09; 90	2023.9	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548170	CIF	C16 H17 N7 O8 Zn	P 1 21/c 1	9.915; 26.133; 8.3197 90; 101.9; 90	2109.4	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548171	CIF	C16 H17 N7 O8 Zn	P 1 21/c 1	9.86; 25.836; 8.226 90; 102.973; 90	2042	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548172	CIF	C16 H17 N7 O8 Zn	P 1 21/c 1	9.871; 26.022; 8.286 90; 101.902; 90	2082.6	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548173	CIF	C17 H19 Co N7 O8	P 1 21/c 1	9.699; 27.857; 7.707 90; 101.44; 90	2040.9	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548174	CIF	C18 H23 Co N7 O9	P -1	8.037; 15.043; 18.574 90.537; 94.769; 92.761	2235	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548175	CIF	C22 H29 Co N7 O8	P 1 21/c 1	11; 16.03; 15.347 90; 106.744; 90	2591.4	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548176	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.849; 25.942; 8.161 90; 100.764; 90	2048.5	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548177	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.8458; 25.898; 8.1434 90; 100.839; 90	2039.4	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548178	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.7984; 27.41; 7.6404 90; 100.082; 90	2020.3	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548179	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.7948; 27.435; 7.5979 90; 100.265; 90	2009	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548180	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.794; 27.475; 7.548 90; 100.433; 90	1997.5	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548181	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.796; 27.433; 7.5962 90; 100.288; 90	2008.5	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548182	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.804; 27.417; 7.659 90; 100.03; 90	2027.2	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548183	CIF	C16 H17 Co N7 O8	P 1 21/c 1	9.8515; 25.892; 8.1511 90; 100.82; 90	2042.2	Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810
1548184	CIF	C27 H34 Dy P	P 1 21/n 1	8.197; 24.7447; 11.5021 90; 94.741; 90	2325	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492
1548185	CIF	C70 H83 Dy3 P3	C 1 c 1	14.8907; 18.6253; 23.5996 90; 103.258; 90	6370.8	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492
1548186	CIF	C194 H286 Dy6 Li O17 P6	P 1 21/c 1	22.321; 15.7702; 27.9921 90; 95.319; 90	9811	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492
1548187	CIF	C27 H34 P Y	P 1 21/n 1	8.179; 24.6788; 11.5031 90; 94.707; 90	2314	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492
1548188	CIF	C70 H83 P3 Y3	P 1 21/c 1	11.6328; 25.0914; 21.5705 90; 91.002; 90	6295.1	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492
1548189	CIF	C99 H147 Li3 O9 P3 Y3	P 1 21/c 1	22.3184; 15.7523; 27.9702 90; 95.358; 90	9790.4	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492
1548190	CIF	C37 H54 O3	P 21 21 21	6.8269; 11.8121; 39.687 90; 90; 90	3200.4	Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation Nature Communications, 2016, 7, 11129
1548191	CIF	C34 H50 Cl N3 O4 S Si	P 1 21 1	11.197; 11.9551; 14.1022 90; 108.316; 90	1792.1	Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation Nature Communications, 2016, 7, 11129
1548192	CIF	C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5	P c a b	28.9075; 29.7016; 78.032 90; 90; 90	66998.2	Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits Nature Communications, 2016, 7, 10240
1548193	CIF	C336 H561 Co Cr21 F24 Fe2 N6 Ni3 O109	P -1	25.5047; 31.7138; 31.7614 73.3116; 86.822; 78.9831	24154.7	Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits Nature Communications, 2016, 7, 10240
1548194	CIF	C518 H842 Cr28 Cu2 F32 N6 Ni4 O136 S2	P -1	24.4826; 27.8069; 28.5719 103.388; 98.656; 115.074	16443	Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits Nature Communications, 2016, 7, 10240
1548195	CIF	C430 H719 Cr28 Cu F32 N8 Ni4 O134 S2	P -1	17.4882; 31.3959; 57.0602 78.323; 84.724; 89.6349	30548.6	Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits Nature Communications, 2016, 7, 10240
1548196	CIF	C41.5 H31 F12 N7 P2 Ru	P 41	25.5619; 25.5619; 12.5769 90; 90; 90	8217.88	Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications, 2016, 7, 10487
1548197	CIF	C40 H24 Cl2 N8 O15 Ru	P 21 21 21	13.8114; 14.0525; 20.7957 90; 90; 90	4036.13	Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications, 2016, 7, 10487
1548198	CIF	C40 H18 Cl2 N8 O15 Ru	P 21 21 21	13.7734; 14.0148; 20.71 90; 90; 90	3997.68	Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications, 2016, 7, 10487
1548199	CIF	C41.5 H31 F12 N7 P2 Ru	P 43	25.5802; 25.5802; 12.5709 90; 90; 90	8225.73	Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications, 2016, 7, 10487
1548200	CIF	C512 H320 N120 O8 Pd6 Ru8	I 4 2 2	32.2284; 32.2284; 38.2801 90; 90; 90	39760.4	Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications, 2016, 7, 10487
1548201	CIF	C512 H320 N120 O8 Pd6 Ru8	I 4 2 2	32.5722; 32.5722; 38.7258 90; 90; 90	41086.1	Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications, 2016, 7, 10487
1548202	CIF	C28 H52 Co N6 O8 S4	P 21 21 21	12.153; 15.986; 18.29 90; 90; 90	3553.3	Yvonne Rechkemmer; Frauke D. Breitgoff; Margarethe van der Meer; Mihail Atanasov; Michael Hakl; Milan Orlita; Petr Neugebauer; Frank Neese; Biprajit Sarkar; Joris van Slageren A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier Nature Communications, 2016, 7, 10467
1548203	CIF	C21 H15 Am N3 O13.5	P -1	11.8381; 13.3788; 15.1601 91.0206; 95.2167; 103.108	2327	Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827
1548204	CIF	C21 H12 Cm N3 O13.3	P -1	11.8146; 13.3852; 15.1717 90.9375; 95.3161; 103.111	2324.9	Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827
1548205	CIF	C21 H12 Cf N3 O13	P -1	11.7542; 13.4315; 15.1978 91.118; 95.911; 103.107	2322.17	Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827
1548206	CIF	C14 H20 Fe N2 O4	P 1 21/c 1	8.889; 5.114; 16.291 90; 100.396; 90	728.4	Masanori Wakizaka; Takeshi Matsumoto; Ryota Tanaka; Ho-Chol Chang Dehydrogenation of anhydrous methanol at room temperature by o-aminophenol-based photocatalysts Nature Communicatons, 2016, 7, 12333
1548207	CIF	C12 H14 Cu N2 O3	P -1	9.665; 9.683; 12.954 82.699; 80.834; 89.75	1187	Masanori Wakizaka; Takeshi Matsumoto; Ryota Tanaka; Ho-Chol Chang Dehydrogenation of anhydrous methanol at room temperature by o-aminophenol-based photocatalysts Nature Communicatons, 2016, 7, 12333
1548208	CIF	C40 H54 N14 O41 W12 Zn3	P 1 21 1	15.088; 13.2353; 18.0221 90; 94.414; 90	3588.23	Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins Nature Communications, 2015, 6, 10007
1548209	CIF	C40 H54 N14 O41 W12 Zn3	P 1 21 1	15.1029; 13.2535; 18.033 90; 94.44; 90	3598.8	Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins Nature Communications, 2015, 6, 10007
1548210	CIF	C192 H216 Au38 S24	P -1	21.974; 22.685; 24.846 84.189; 79.598; 69.834	11425	Shubo Tian; Yi-Zhi Li; Man-Bo Li; Jinyun Yuan; Jinlong Yang; Zhikun Wu; Rongchao Jin Structural isomserism in gold nanoparticles revealed by X-ray crystallography Nature Communications, 2015, 6, 8667
1548211	CIF	Ba Mg Na2 O8 P2	P -3	5.3043; 5.3043; 6.9915 90; 90; 120	170.36	Yonesaki, Y.; Matsuda, C. Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates Journal of Solid State Chemistry, 2011, 184, 3247-3252
1548212	CIF	Mg Na2 O8 P2 Sr	P 1 21/c 1	9.124; 5.279; 13.499 90; 90.013; 90	650.2	Yonesaki, Y.; Matsuda, C. Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates Journal of Solid State Chemistry, 2011, 184, 3247-3252
1548213	CIF	C54 H72 Al2 N6 Te2	P 1 21/n 1	12.4329; 22.915; 19.419 90; 92.861; 90	5525.58	Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037
1548214	CIF	C45 H68 Al N7 Te	P 1 21/c 1	12.2033; 19.649; 19.497 90; 95.069; 90	4656.8	Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037
1548215	CIF	C72 H104 Al2 N10 Te2	P -1	10.4285; 12.9619; 15.2266 107.012; 101.576; 104.722	1817.4	Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037
1548216	CIF	C24 H16 Cd N2 O4	P 1 21/c 1	10.3397; 15.6399; 14.9889 90; 100.948; 90	2379.77	Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917
1548217	CIF	C24 H16 Cd N2 O4	P 1 21/c 1	10.10785; 17.0515; 14.7514 90; 97.9248; 90	2518.18	Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917
1548218	CIF	C27 H23 Cd N3 O5	P 1 21/c 1	9.442; 17.6271; 14.8977 90; 96.085; 90	2465.53	Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917
1548219	CIF	C27 H23 Cd N3 O5	P 1 21/c 1	9.7055; 17.8498; 14.7845 90; 94.7485; 90	2552.49	Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917
1548220	CIF	C28 H25 Cd N3 O5	P 1 21/c 1	9.727; 17.0204; 15.2959 90; 96.8477; 90	2514.29	Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917
1548221	CIF	C28 H25 Cd N3 O5	P 1 21/c 1	9.7904; 17.366; 15.2569 90; 95.4829; 90	2582.11	Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917
1548222	CIF	C9 H12 I N O3	P 1 21 1	6.2312; 5.2898; 16.469 90; 96.772; 90	539.06	Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo Supramolecular amplification of amyloid self-assembly by iodination Nature Communications, 2015, 6, 7574
1548223	CIF	C53.66667 H31.66667 Cl2 Cu N4	C 1 2/c 1	35.403; 18.9578; 23.171 90; 130.29; 90	11862	Fan Wu; Jie Liu; Puneet Mishra; Tadahiro Komeda; John Mack; Yi Chang; Nagao Kobayashi; Zhen Shen Modulation of the molecular spintronic properties of adsorbed copper corroles Nature Communications, 2015, 6, 7547
1548224	CIF	C18 H23 N O5	P 1 21 1	12.6748; 5.3055; 13.6447 90; 106.479; 90	879.86	Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically Nature Communications, 2015, 6, 8418
1548225	CIF	C24 H32 O2 Si	P 21 21 21	7.6184; 16.5442; 18.1572 90; 90; 90	2288.54	Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332
1548226	CIF	C14 H16 O2	P 1 21 1	7.2978; 6.7046; 11.4419 90; 90.391; 90	559.83	Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332
1548227	CIF	C18 H22 O5	P -1	8.7788; 9.8167; 10.4098 104.353; 109.179; 98.133	796.13	Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332
1548228	CIF	C14 H18 O2	P 21 21 21	15.2428; 15.4175; 21.1538 90; 90; 90	4971.3	Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332
1548229	CIF	C18 H8 Br2 I2 O2 S8	P 1 21/n 1	10.501; 11.9699; 11.0318 90; 109.896; 90	1303.9	Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469
1548230	CIF	C12 H4 Br2 I2 O2 S4	P -1	7.008; 7.571; 9.696 111.669; 108.287; 93.393	444.9	Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469
1548231	CIF	C12 H4 Br3 I O2 S4	P -1	8.4688; 8.7721; 11.6407 93.405; 97.351; 91.892	855.44	Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469
1548232	CIF	C12 H4 Br I3 O2 S4	P -1	7.0535; 7.6622; 9.7173 111.757; 107.972; 94.14	453.5	Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469
1548233	CIF	C12 H4 I4 O2 S4	P -1	7.0996; 7.7287; 9.7508 111.648; 107.843; 94.7	461.74	Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469
1548234	CIF	C36 H60 N7 O15.7	P 1 21 1	8.9071; 39.9588; 13.1061 90; 109.226; 90	4404.5	Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit Formation of functional super-helical assemblies by constrained single heptad repeat Nature Communications, 2015, 6, 8615
1548235	CIF	H14 Mo6 N2 O24 Te	P 3	12.56; 12.56; 3.944 90; 90; 120	539	Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda Ultrathin inorganic molecular nanowire based on polyoxometalates Nature Communications, 2015, 6, 7731
1548236	CIF	C39 H53 Cl3 O9	P -1	12.7541; 13.5008; 13.6961 94.892; 105.455; 113.791	2029.61	Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E. Chemical science, 2018, 9, 1488-1495
1548237	CIF	C39 H54 O9	P -1	10.6706; 13.8828; 14.1078 70.567; 84.605; 69.424	1844.5	Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E. Chemical science, 2018, 9, 1488-1495
1548238	CIF	C34 H44 O6	P 1 21 1	11.541; 16.4653; 32.9338 90; 95.72; 90	6227.12	Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E. Chemical science, 2018, 9, 1488-1495
1548239	CIF	C34 H45 O7	P 21 21 21	6.3828; 14.8993; 32.605 90; 90; 90	3100.71	Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E. Chemical science, 2018, 9, 1488-1495
1548240	CIF	C34 H46 O7	P 21 21 21	12.4836; 12.5791; 20.1204 90; 90; 90	3159.56	Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E. Chemical science, 2018, 9, 1488-1495
1548241	CIF	C16 H23 N2 O2	P 21 21 21	6.8237; 9.6779; 23.209 90; 90; 90	1532.7	Kim, Yechan; Kim, Seoung-Tae; Kang, Dahye; Sohn, Te-Ik; Jang, Eunyoung; Baik, Mu-Hyun; Hong, Sungwoo Stereoselective construction of sterically hindered oxaspirocycles <i>via</i> chiral bidentate directing group-mediated C(sp<sup>3</sup>)-O bond formation. Chemical science, 2018, 9, 1473-1480
1548242	CIF	C136 H144 Cu8 N24 O60	F d d d :2	10.9218; 23.5976; 34.2826 90; 90; 90	8835.6	Fernández de Luis, Roberto; Larrea, Edurne S.; Orive, Joseba; Fidalgo-Marijuan, Arkaitz; Lezama, Luis; Arriortua, María I Open and closed forms of the interpenetrated [Cu<sub>2</sub>(Tae)(Bpa)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>·nH<sub>2</sub>O: magnetic properties and high pressure CO<sub>2</sub>/CH<sub>4</sub> gas sorption. Dalton transactions (Cambridge, England : 2003), 2018, 47, 958-970
1548243	CIF	C136 H144 Cu8 N24 O54.4	F d d d :2	11.1575; 23.7123; 33.583 90; 90; 90	8885.1	Fernández de Luis, Roberto; Larrea, Edurne S.; Orive, Joseba; Fidalgo-Marijuan, Arkaitz; Lezama, Luis; Arriortua, María I Open and closed forms of the interpenetrated [Cu<sub>2</sub>(Tae)(Bpa)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>·nH<sub>2</sub>O: magnetic properties and high pressure CO<sub>2</sub>/CH<sub>4</sub> gas sorption. Dalton transactions (Cambridge, England : 2003), 2018, 47, 958-970
1548244	CIF	C44 H28 N2 O12 Tb	I 1 2/c 1	14.9948; 15.5788; 35.0105 90; 94.405; 90	8154.3	Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi Novel double layer lanthanide metal-organic networks for sensing applications. Dalton transactions (Cambridge, England : 2003), 2018, 47, 465-474
1548245	CIF	C44 H28 Eu N2 O12	I 1 2/c 1	15.0374; 15.5766; 35.0554 90; 94.951; 90	8180.4	Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi Novel double layer lanthanide metal-organic networks for sensing applications. Dalton transactions (Cambridge, England : 2003), 2018, 47, 465-474
1548246	CIF	C158 H140 N4 O12 Si4	P 21 21 21	15.99; 28.164; 30.875 90; 90; 90	13904	Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations Nature Communications, 2015, 6, 7236
1548247	CIF	C76.5 H58 N2 O6	P 1 21 1	12.65; 30.179; 16.608 90; 111.13; 90	5914	Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations Nature Communications, 2015, 6, 7236
1548248	CIF	C50 H51 N	P -1	9.9215; 11.522; 17.8122 104.475; 93.873; 108.095	1850.6	Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215
1548249	CIF	C55 H58 Br3 Cl5 N	P -1	11.6888; 15.2279; 16.1361 94.96; 111.005; 103.447	2561.8	Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215
1548250	CIF	C50.75 H48.5 Cl0.75 N	P b c a	13.17; 34.623; 36.534 90; 90; 90	16659	Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215
1548251	CIF	C112.5 H47 Cl N O0	P -1	13.462; 14.743; 18.096 98.297; 101.322; 97.33	3439	Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215
1548252	CIF	C25 H28 O5 S2 Si2	P 1 21/n 1	15.4348; 7.2594; 24.961 90; 93.585; 90	2791.3	Henriette Lissau; Riccardo Frisenda; Stine T. Olsen; Martyn Jevric; Christian R. Parker; Anders Kadziola; Thorsten Hansen; Herre S. J. van der Zant; Mogens Brondsted Nielsen; Kurt V. Mikkelsen Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments Nature Communications, 2015, 6, 10233
1548253	CIF	C35 H32 B2 N4	P 1 21 1	9.19; 30.098; 10.4179 90; 102.688; 90	2811.2	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548254	CIF	C31.5 H29 B2 Br N4	P 1 21/n 1	7.4966; 14.1674; 26.033 90; 95.734; 90	2751.1	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548255	CIF	C31 H32 B2 Cl N5 O	P 1 21/c 1	7.5717; 13.808; 27.35 90; 96.647; 90	2840.2	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548256	CIF	C20 H20 B2 Cl2 N4	P -1	6.7243; 8.4506; 9.7798 76.647; 85.978; 66.7788	496.77	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548257	CIF	C20 H20 B2 N4	C 1 2/c 1	28.875; 8.473; 19.549 90; 132.202; 90	3543	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548258	CIF	C22 H23 B2 F3 N4 O3 S	P 1 21/c 1	7.2251; 14.5333; 22.5468 90; 91.921; 90	2366.2	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548259	CIF	C26 H33 B3 N4 O2	C 1 2/c 1	29.987; 7.0147; 25.999 90; 110.164; 90	5133.7	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548260	CIF	C32 H32 B2 N4 Si	P 1 21/c 1	20.534; 18.455; 7.417 90; 94.979; 90	2800.1	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548261	CIF	C35 H32 B2 F2 N4 P	P -1	8.115; 13.162; 16.232 106.603; 102.639; 104.799	1524.6	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548262	CIF	C21 H20 B2 N4 O2	P n a 21	15.071; 8.378; 14.966 90; 90; 90	1889.7	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548263	CIF	C28 H28 B2 N4	P 1 21/n 1	8.2613; 23.616; 12.724 90; 106.778; 90	2376.8	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871
1548264	CIF	C11.5 H7.5 Cu O5.5	P 42/n n m	17.9257; 17.9257; 28.0627 90; 90; 90	9017.4	Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions Nature Communications, 2015, 6, 7575
1548265	CIF	C25 H29 B2 Cl2 N2 O2	P -1	9.205; 10.74; 13.922 82.773; 76.229; 74.293	1284.1	Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340
1548266	CIF	C22 H26 B2 N2 O2	P b c n	9.3775; 22.196; 9.432 90; 90; 90	1963.2	Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340
1548267	CIF	C78 H83 B4 F11 N4 O10 S2	P -1	10.8994; 13.3303; 14.0182 98.334; 90.656; 109.608	1894.4	Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340
1548268	CIF	C34.5 H39.5 B2 N2 O2.75	P 1 21/n 1	11.3572; 9.8183; 27.031 90; 96.547; 90	2994.5	Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340
1548269	CIF	C23.5 H27 B2 Cl N2 O4	P 1 21/c 1	13.017; 6.3932; 27.756 90; 99.795; 90	2276.2	Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340
1548270	CIF	C30 H18	C 1 2/c 1	22.535; 5.356; 16.749 90; 98.687; 90	1998	Yuchen Wu; Jiangang Feng; Xiangyu Jiang; Zhen Zhang; Xuedong Wang; Bin Su; Lei Jiang Positioning and joining of organic single-crystalline wires Nature Communications, 2015, 6, 6737
1548271	CIF	C450 H492 B24 F18 Fe42 N240 O60 S6	P n -3 n :2	30.8314; 30.8314; 30.8314 90; 90; 90	29308	Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato A ferromagnetically coupled Fe42 cyanide-bridged nanocage Nature Communications, 2015, 6, 5955
1548272	CIF	C450 H548 B24 F18 Fe42 N240 O88 S6	P n -3 n :2	30.7679; 30.7679; 30.7679 90; 90; 90	29127	Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato A ferromagnetically coupled Fe42 cyanide-bridged nanocage Nature Communications, 2015, 6, 5955
1548273	CIF	C9 H5 Cu N5 O4	P b c n	12.1905; 14.4177; 20.4894 90; 90; 90	3601.2	Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures Nature Communications, 2015, 6, 7328
1548274	CIF	C48 H42 B Cl0.25 F24 Na O9	C 1 2/m 1	18.3769; 16.7983; 18.7409 90; 107.372; 90	5521.4	Rene-Chris Brachvogel; Frank Hampel; Max von Delius Self-assembly of dynamic orthoester cryptates Nature Communications, 2015, 6, 7129
1548275	CIF	C18 H20 Mg2 N2 O10	C 1 2/c 1	22.2003; 7.3575; 15.5257 90; 130.588; 90	1925.8	Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851
1548276	CIF	C32 H30 Mg2 N4 O12	C 1 2/c 1	18.2716; 17.2585; 13.5539 90; 129.666; 90	3290.1	Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851
1548277	CIF	C39 H31 Ca2 N5 O13	C 1 2/c 1	21.47; 19.39; 10.099 90; 119.867; 90	3646	Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851
1548278	CIF	C18 H18 O4	P 1 21 1	6.618; 11.0447; 9.5463 90; 97.521; 90	691.773	Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis. Journal of natural products, 2017, 80, 3159-3166
1548279	CIF	C20 H26 O7	P 1 21 1	9.3421; 19.9924; 9.4989 90; 101.955; 90	1735.64	Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis. Journal of natural products, 2017, 80, 3159-3166
1548280	CIF	C20 H26 O3	P 21 21 21	6.6645; 14.5838; 16.6379 90; 90; 90	1617.1	Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis. Journal of natural products, 2017, 80, 3159-3166
1548281	CIF	C19 H18 O4	P 21 21 21	10.5798; 11.3154; 12.4063 90; 90; 90	1485.22	Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis. Journal of natural products, 2017, 80, 3159-3166
1548282	CIF	C20 H21 N O4	P 1 21/n 1	9.8726; 12.6801; 18.1414 90; 92.315; 90	2269.19	Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S. Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole. Journal of natural products, 2017, 80, 3305-3313
1548283	CIF	C50 H60 N2 O6	P 1 21/n 1	19.2834; 10.8405; 24.0533 90; 90.22; 90	5028.1	Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S. Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole. Journal of natural products, 2017, 80, 3305-3313
1548284	CIF	C23 H27 N O4	C 1 2/c 1	21.8292; 15.8674; 12.3179 90; 91.099; 90	4265.8	Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S. Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole. Journal of natural products, 2017, 80, 3305-3313
1548285	CIF	C22 H25 N O4	P 1 21/c 1	12.4371; 14.4844; 22.3921 90; 98.146; 90	3993.1	Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S. Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole. Journal of natural products, 2017, 80, 3305-3313
1548286	CIF	C22 H25 N O4	P 1 21/c 1	9.2101; 20.2873; 21.287 90; 96.731; 90	3950	Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S. Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole. Journal of natural products, 2017, 80, 3305-3313
1548287	CIF	C22 H32 O5	P 21 21 21	6.662; 11.5786; 25.333 90; 90; 90	1954.1	Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides. Journal of natural products, 2017, 80, 3120-3127
1548288	CIF	C23 H28 O7	P 21 21 21	7.764; 10.8733; 24.687 90; 90; 90	2084.1	Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides. Journal of natural products, 2017, 80, 3120-3127
1548289	CIF	C28 H48 O7	P 1 21 1	14.3972; 6.525; 15.8944 90; 110.13; 90	1401.94	Woo, Jung-Kyun; Ha, Thi Kim Quy; Oh, Dong-Chan; Oh, Won-Keun; Oh, Ki-Bong; Shin, Jongheon Polyoxygenated Steroids from the Sponge Clathria gombawuiensis. Journal of natural products, 2017, 80, 3224-3233
1548290	CIF	C20 H10 B F2 N3 S4	P -1	7.4908; 11.994; 12.0878 65.066; 83.917; 77.77	962.28	Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents The Journal of Physical Chemistry C, 2017, 121, 27009
1548291	CIF	C16 H10 B F2 N3 S2	P 1 21/n 1	9.4685; 12.8918; 12.7084 90; 101.357; 90	1520.9	Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents The Journal of Physical Chemistry C, 2017, 121, 27009
1548292	CIF	C164.05 H143.07 Cu2 F36 N29.98 O2.48 P6 Ru2	P -1	12.383; 18.49; 19.983 69.381; 79.742; 88.826	4209	Hayes, Dugan; Kohler, Lars; Hadt, Ryan G.; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L.; Chen, Lin X. Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy. Chemical science, 2018, 9, 860-875
1548293	CIF	C53 H45 B3 F20 N4 O2	P 1 21/c 1	8.281; 27.653; 23.173 90; 91.817; 90	5304	Zheng, Junhao; Li, Zhen Hua; Wang, Huadong Addition of dihydrogen to a borylborenium center. Chemical science, 2018, 9, 1433-1438
1548294	CIF	C27 H26 O5 S	P 1	4.6598; 11.2839; 12.0321 115.307; 97.601; 94.255	560.85	Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity Nature Communications, 2015, 6, 7239
1548295	CIF	C48 H50 O6 S	P 1 21 1	13.673; 7.849; 18.491 90; 95.18; 90	1976.3	Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity Nature Communications, 2015, 6, 7239
1548296	CIF	C12 H24 B2 O4	P 1 21/a 1	10.165; 7.482; 10.278 90; 110.446; 90	732.4	Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245
1548297	CIF	C24 H34 B2 O2	P 1 21/c 1	9.859; 18.123; 13.451 90; 110.728; 90	2247.8	Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245
1548298	CIF	C26 H34 B2 O4	P 1 21/n 1	15.238; 10.705; 16.004 90; 107.762; 90	2486.2	Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245
1548299	CIF	C29 H43 B2 N O2	P -1	9.278; 10.2; 16.057 71.907; 83.574; 68.113	1340.3	Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245
1548300	CIF	C34 H52 B2 N2 O2	P 1 21/c 1	12.796; 18.047; 15.325 90; 110.858; 90	3307.1	Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245
1548301	CIF	C34 H52 B2 N2 O2	P 1 21/n 1	13.923; 15.76; 15.026 90; 92.731; 90	3293	Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245
1548302	CIF	C158 H152 B2 F48 Pd10	P 1 21/n 1	10.511; 20.522; 35.439 90; 94.2797; 90	7623.1	Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742
1548303	CIF	C152 H146 B2 F48 O2 Pd10	P -1	19.4381; 21.7533; 22.0547 86.871; 84.951; 66.93	8544.5	Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742
1548304	CIF	C162 H154 B2 F48 Pd5	P -1	17.1352; 20.7763; 23.2367 104.581; 90.8059; 105.76	7674.7	Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742
1548305	CIF	C162 H154 B2 F48 Pd7	P -1	17.1345; 20.7478; 23.226 104.412; 90.6725; 105.167	7692.4	Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742
1548306	CIF	C162 H154 B2 F48 Pd5 Pt3	P -1	17.0309; 20.8251; 23.3934 75.2877; 89.9715; 74.2761	7703.8	Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742
1548307	CIF	C31 H37 B F2 N3 P	P 1 21/c 1	8.4508; 41.4961; 8.07 90; 94.122; 90	2822.6	Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541
1548308	CIF	C80 H70 N4 P2 S2 Zn	C 1 2/c 1	28.4395; 18.7648; 16.3621 90; 123.051; 90	7318.9	Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541
1548309	CIF	C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn	P -1	15.6349; 18.4356; 21.753 107.517; 110.288; 96.416	5442.2	Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541
1548310	CIF	C8 H8 Cu F6 N4 Si	P 4/m m m	6.9186; 6.9186; 7.9061 90; 90; 90	378.44	Shekhah, Osama; Belmabkhout, Youssef; Chen, Zhijie; Guillerm, Vincent; Cairns, Amy; Adil, Karim; Eddaoudi, Mohamed Made-to-order metal-organic frameworks for trace carbon dioxide removal and air capture Nature Communications, 2014, 5, 4228
1548311	CIF	C9 H56 K Mo10 N O42 S10	P 63/m	23.7146; 23.7146; 19.1834 90; 90; 120	9343	Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715
1548312	CIF	C26 H32 K10 Mo14 O80 S2	P 1 21 1	11.2207; 22.4613; 16.9237 90; 105.662; 90	4106.9	Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715
1548313	CIF	C56 H236 K18 Mo60 N4 O261 S36	P 1 21/m 1	20.8518; 28.0652; 32.415 90; 104.793; 90	18340.8	Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715
1548314	CIF	C36 H246 I K11.5 Mo48 N3 Na0.5 O220 S36	P 1 21/n 1	26.0429; 29.3416; 47.0393 90; 90.04; 90	35944.6	Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715
1548315	CIF	C20 H126 K14 Mo34 O148 S24	P b c m	26.515; 44.264; 17.7362 90; 90; 90	20816	Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715
1548316	CIF	C61 H141 K8 Mo18 N7 O99 S18	P 1 2/c 1	30.5759; 17.0735; 38.4463 90; 113.034; 90	18470.3	Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715
1548317	CIF	C8 H12 Cu N4 O5	P 21 21 21	6.991; 10.778; 15.575 90; 90; 90	1173.6	Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch Femtolitre chemistry assisted by microfluidic pen lithography Nature Communications, 2013, 4, 2173
1548318	CIF	C16 H36 N8 Ni O13	P 21 21 21	8.768; 15.22; 18.86 90; 90; 90	2516.8	Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch Femtolitre chemistry assisted by microfluidic pen lithography Nature Communications, 2013, 4, 2173
1548319	CIF	C32.33 H61.67 Cl2 Mo N2 O2.33 P2	R -3 :H	36.2479; 36.2479; 17.0202 90; 90; 120	19366.9	Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737
1548320	CIF	C24 H44.33 Cl Mo N2 P2	P 61 2 2	16.3159; 16.3159; 19.6989 90; 90; 120	4541.5	Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737
1548321	CIF	C24 H43 Cl F3 Mo N2 O3 P2 S	C 1 2/c 1	33.3044; 15.2043; 13.0074 90; 109.784; 90	6197.8	Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737
1548322	CIF	C33 H57 Cl F3 Mo N3 O4 P2 S	P 1 21/c 1	16.4904; 16.7621; 16.772 90; 119.077; 90	4051.71	Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737
1548323	CIF	C44 Cl18 S4	P -1	9.1469; 10.368; 12.092 86.48; 88.75; 75.41	1107.6	Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons Nature Communications, 2013, 4, 2646
1548324	CIF	C48 Cl18	C 1 2/c 1	12.861; 28.435; 10.629 90; 97.155; 90	3856.8	Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons Nature Communications, 2013, 4, 2646
1548325	CIF	C60 Cl22	C 1 2/c 1	27.683; 21.998; 21.006 90; 91.15; 90	12789	Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons Nature Communications, 2013, 4, 2646
1548326	CIF	C60 Cl24	C 1 2/c 1	20.4128; 22.9777; 15.0794 90; 108.949; 90	6689.5	Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons Nature Communications, 2013, 4, 2646
1548327	CIF	C96 H3 Cl27	C 1 2/c 1	36.715; 22.1591; 24.607 90; 116.242; 90	17956	Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons Nature Communications, 2013, 4, 2646
1548328	CIF	C20 H17 N O2	P 1	7.3007; 10.496; 10.861 70.26; 77; 81.658	761.1	Zhang, Dewu; Guo, Jiamei; Zhang, Min; Liu, Xiao; Ba, Mingyu; Tao, Xiaoyu; Yu, Liyan; Guo, Ying; Dai, Jungui Oxazole-Containing Diterpenoids from Cell Cultures of Salvia miltiorrhiza and Their Anti-HIV-1 Activities. Journal of natural products, 2017, 80, 3241-3246
1548329	CIF	C72 H120 Au Br4 K O68	P 21 21 2	23.7764; 14.2049; 16.3214 90; 90; 90	5512.4	Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications, 2013, 4, 1855
1548330	CIF	C72 H115 Au Cl4 K O68	P 1 21 1	16.2732; 14.186; 23.6996 90; 90.041; 90	5471.1	Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications, 2013, 4, 1855
1548331	CIF	C84 H143 Au Br4 K O72	P 1 21 1	15.8246; 24.5009; 19.0924 90; 108.401; 90	7024	Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications, 2013, 4, 1855
1548332	CIF	C84 H134 Au0.79 Cl3.36 K O92	P 1 21 1	15.7337; 24.3445; 19.2645 90; 108.748; 90	6987.4	Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications, 2013, 4, 1855
1548333	CIF	C144 H240 Au Br4 O124	P 4 21 2	23.6711; 23.6711; 22.7697 90; 90; 90	12758.3	Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications, 2013, 4, 1855
1548334	CIF	C144 H240 Au Cl4 O120	P 4 21 2	23.6973; 23.6973; 22.8929 90; 90; 90	12855.8	Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications, 2013, 4, 1855
1548335	CIF	C6 H4 N6 O4 Zn	I -4 3 m	17; 17; 17 90; 90; 90	4913	Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform Nature Communications, 2013, 4, 2684
1548336	CIF	C8 H8 N6 O4 Zn	R -3 m :H	23.132; 23.132; 15.528 90; 90; 120	7195.7	Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform Nature Communications, 2013, 4, 2684
1548337	CIF	C4 H3 N3 O4 Zn	P c a 21	14.268; 4.5707; 10.746 90; 90; 90	700.8	Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform Nature Communications, 2013, 4, 2684
1548338	CIF	C108 H36 Cd6 Cl3 N24 O48	F m -3 m	38.527; 38.527; 38.527 90; 90; 90	57187	Chun-Yi Sun; Xin-Long Wang; Xiao Zhang; Chao Qin; Peng Li; Zhong-Min Su; Dong-Xia Zhu; Guo-Gang Shan; Kui-Zhan Shao; Han Wu; Jing Li Efficient and tunable white-light emission of metal-organic frameworks by iridium-complex encapsulation Nature Communications, 2013, 3, 2717
1548339	CIF	C10 H27 Al2 N2 O15 P3	P 1 21/c 1	9.2188; 28.76; 9.2188 90; 112.73; 90	2254.4	Jiancong Liu; Ning Wang; Yue Yu; Yan Yan; Hongyue Zhang; Jiyang Li; Jihong Yu Carbon dots in zeolites: A new class of thermally activated delayed fluorescence materials with ultralong lifetimes Science Advances, 2017, 3, 1603171
1548340	CIF	Cl16 Cu16 O8	F d d d :2	7.4477; 9.5989; 9.6888 90; 90; 90	692.65	Li Zhao; Maria Teresa Fernandez-Diaz; Liu Hao Tjeng; Alexander C. Komarek Oxyhalides: A new class of high-TC multiferroic materials Science Advances, 2016, 2, 1600353
1548341	CIF	C79 H64.5 B Cl2 F4 O0.5 Os P3	C 1 2/c 1	42.105; 12.613; 24.741 90; 90.15; 90	13139	Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties Science Advances, 2016, 2, 1601031
1548342	CIF	C78 H74 B F4 Os P3	P 1 21/c 1	13.14; 18.625; 26.176 90; 96.12; 90	6370	Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties Science Advances, 2016, 2, 1601031
1548343	CIF	C68.5 H59 B Cl F4 Os P3	P -1	9.938; 24.307; 25.357 108.68; 96.47; 96.12	5699	Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties Science Advances, 2016, 2, 1601031
1548344	CIF	Ga0.3333 Ge0.3333 N Zn0.3333	P 63 m c	3.19186; 3.19186; 5.18498 90; 90; 120	45.7473	Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi Quaternary Wurtzitic Nitrides in the System ZnGeN2‒GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst The Journal of Physical Chemistry C, 2017, 121, 27590
1548345	CIF	C39 H38 N2 O3 S	P 1 21/c 1	16.5942; 8.7199; 21.4742 90; 93.516; 90	3101.5	Yamamoto, Y.; Murayama, T.; Jiang, J.; Yasui, T.; Shibuya, M. The vinylogous Catellani reaction: a combined computational and experimental study. Chemical science, 2018, 9, 1191-1199
1548346	CIF	C204 H158 B8 F32 N40 O7 Zn4	C 1 2/c 1	47.6161; 31.7486; 56.289 90; 111.305; 90	79279	Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions. Chemical science, 2018, 9, 1050-1057
1548347	CIF	C206 H163 B3.5 F14 I4.5 N41 O8 Zn4	C 1 2/c 1	47.061; 32.0425; 55.568 90; 110.406; 90	78535	Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions. Chemical science, 2018, 9, 1050-1057
1548348	CIF	C8 H9 N O2	P c a b	7.232; 11.76; 17.16 90; 90; 90	1459.43	Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science, 2017, 355, 166-169
1548349	CIF	Al2 Co1.13 H11.223 O20 P4	P 1 21/n 1	8.4589; 16.5069; 5.0726 90; 90.086; 90	708.29	Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science, 2017, 355, 166-169
1548350	CIF	Al2 Co1.224 H10.954 O20 P4	P 1 21/n 1	8.395; 16.3; 5.033 90; 90.44; 90	688.7	Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science, 2017, 355, 166-169
1548351	CIF	Fe4 Na4 O36 P12	P 21 21 21	14.339; 14.3374; 14.3642 90; 90; 90	2953	Xinghao Lin; Yanming Zhao; Youzhong Dong; Quan Kuang Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3 Data in Brief, 2015, 4, 217-221
1548352	CIF	C20 H18 Cl N6 O7 S	P -1	7.512; 9.462; 17.198 95.387; 102.271; 110.101	1103	N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia Novel furosemide cocrystals and selection of high solubility drug forms Journal of Pharmaceutical Sciences, 2012, 101, 664-680
1548353	CIF	C16 H16 Cl N5 O6 S	P -1	7.909; 9.467; 12.484 100.151; 95.95; 97.644	904.2	N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia Novel furosemide cocrystals and selection of high solubility drug forms Journal of Pharmaceutical Sciences, 2012, 101, 664-680
1548354	CIF	C20 H13 F3 N4 O2 S	P -1	12.861; 14.956; 11.612 100.76; 106; 111.387	1893.5	Annette Bak; Anu Gore; Evelyn Yanez; Mary Stanton; Sunita Tufekcic; Rashid Syed; Anna Akrami; Mark Rose; Sekhar Surapaneni; Tracy Bostick; Anthony King; Sesha Neervannan; Drazen Ostovic; Arun Koparkar The co-crystal approach to improve the exposure of a water-insoluble compound: AMG 517 sorbic acid co-crystal characterization and pharmacokinetics Journal of Pharmaceutical Sciences, 2008, 97, 3942-3956
1548355	CIF	C26 H21 F3 N4 O4 S	P -1	4.7197; 8.8119; 29.6402 89; 85; 81	1212.9	Annette Bak; Anu Gore; Evelyn Yanez; Mary Stanton; Sunita Tufekcic; Rashid Syed; Anna Akrami; Mark Rose; Sekhar Surapaneni; Tracy Bostick; Anthony King; Sesha Neervannan; Drazen Ostovic; Arun Koparkar The co-crystal approach to improve the exposure of a water-insoluble compound: AMG 517 sorbic acid co-crystal characterization and pharmacokinetics Journal of Pharmaceutical Sciences, 2008, 97, 3942-3956
1548356	CIF	C15 H28 N4 O8 S2	P 1 21 1	13.90384; 8.58701; 8.82875 90; 97.8549; 90	1044.2	Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano Crystal Chemistry of the Antibiotic Doripenem Journal of Pharmaceutical Sciences, 2014, 103, 3641-3647
1548357	CIF	C15 H26 N4 O7 S2	P 1 21 1	11.37522; 8.61856; 10.00122 90; 100.369; 90	964.49	Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano Crystal Chemistry of the Antibiotic Doripenem Journal of Pharmaceutical Sciences, 2014, 103, 3641-3647
1548358	CIF	C21 H28 Cl6 O3	P 1	6.315; 9.3352; 11.1622 104.386; 95.464; 107.774	596.44	Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425
1548359	CIF	C19 H26 O3	P 1 21 1	6.254; 11.2919; 11.5524 90; 97.355; 90	809.11	Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425
1548360	CIF	C19 H29 N2 O7.5 S2	P 21 21 21	9.499; 10.5848; 43.643 90; 90; 90	4388.1	Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425
1548361	CIF	C8 H12 O4	P 1 21/c 1	5.3618; 15.15; 10.5728 90; 92.826; 90	857.8	Gérardy, Romaric; Winter, Marc; Horn, Clemens R.; Vizza, Alessandra; Van Hecke, Kristof; Monbaliu, Jean-Christophe M. Continuous-Flow Preparation of γ-Butyrolactone Scaffolds from Renewable Fumaric and Itaconic Acids under Photosensitized Conditions Organic Process Research & Development, 2017, 21, 2012
1548362	CIF	C15 H23 Br2 Co N3 O2	P 1 21/n 1	10.2514; 14.6308; 12.6552 90; 92.105; 90	1896.82	Landge, Vinod G.; Pitchaimani, Jayaraman; Midya, Siba P.; Subaramanian, Murugan; Madhu, Vedichi; Balaraman, Ekambaram Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes Catalysis Science & Technology, 2018, 8, 428
1548363	CIF	C100 H100 Ag15 Cl4 N4 O10 P12	C 2 2 21	18.702; 36.975; 28.652 90; 90; 90	19813	Shen, Xue-Tao; Ma, Xue-Li; Ni, Qing-Ling; Ma, Meng-Xia; Gui, Liu-Cheng; Hou, Cheng; Hou, Ruo-Bing; Wang, Xiu-Jian [Ag<sub>15</sub>(N-triphos)<sub>4</sub>(Cl<sub>4</sub>)](NO<sub>3</sub>)<sub>3</sub>: a stable Ag-P superatom with eight electrons (N-triphos = tris((diphenylphosphino)methyl)amine). Nanoscale, 2018, 10, 515-519
1548364	CIF	C31 H21 N4 O3 Pd	P -1	9.7625; 10.5921; 14.2369 76.453; 73.12; 67.988	1292.94	Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis Nature Communications, 2016, 7, 12901
1548365	CIF	C29 H23 N3 O5	P 21 21 21	7.7318; 14.2451; 21.9203 90; 90; 90	2414.3	Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis Nature Communications, 2016, 7, 12901
1548366	CIF	C28 H21 N3 O5	P 21 21 21	7.6735; 14.4087; 21.653 90; 90; 90	2394.1	Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis Nature Communications, 2016, 7, 12901
1548367	CIF	C29 H22 F N3 O5	P 21 21 21	7.7205; 14.332; 22.282 90; 90; 90	2465.5	Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis Nature Communications, 2016, 7, 12901
1548368	CIF	C22 H17 N3 O5	P 21 21 21	10.4773; 11.3275; 15.9059 90; 90; 90	1887.74	Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis Nature Communications, 2016, 7, 12901
1548369	CIF	C15 H7 O7.59 Th	P 63/m	26.009; 26.009; 9.8065 90; 90; 120	5745	Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants Nature Communications, 2017, 8, 1354
1548370	CIF	C228 H288 N12	P -1	20.8082; 24.0721; 26.2995 80.2288; 72.5101; 75.3058	12090.9	Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469
1548371	CIF	C252 H324 N12	R 3	23.3017; 23.3017; 51.4329 90; 90; 120	24185	Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469
1548372	CIF	C252 H324 N12	R 3	23.1134; 23.1134; 52.322 90; 90; 120	24207.1	Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469
1548373	CIF	C252 H324 N12	R 3	23.121; 23.121; 51.666 90; 90; 120	23919	Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469
1548374	CIF	C252 H324 N12	R 3	23.2072; 23.2072; 52.1786 90; 90; 120	24337.1	Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469
1548375	CIF	C36 H18 Cu3 N18 O15	R -3 :H	22.4857; 22.4857; 11.0509 90; 90; 120	4838.84	Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework Nature Communications, 2017, 8, 1233
1548376	CIF	C32 H13 B Cl3 F15 N2 O	P -1	12.5821; 12.6326; 12.9076 88.937; 79.854; 66.759	1852.7	Lewis C. Wilkins; Nicolo Santi; Louis Y. P. Luk; Rebecca L. Melen Reactions of biologically inspired hydride sources with B(C6F5)3 Philosophical Transactions of the Royal Society A, 2017, 375, 1-12
1548377	CIF	C2 H8 N10 O4	P 1 21/c 1	5.4904; 11.4912; 6.4556 90; 95.571; 90	405.368	Tidey, Jeremiah P.; Zhurov, Vladimir V.; Gianopoulos, Christopher G.; Zhurova, Elizabeth A.; Pinkerton, A. Alan Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50. The journal of physical chemistry. A, 2017, 121, 8962-8972
1548378	CIF	C60 H33 B Cl6 F24 N2	C 1 2/c 1	23.4747; 18.168; 17.265 90; 124.479; 90	6069.8	Gurinov, Andrei A.; Denisov, Gleb S.; Borissova, Alexandra O.; Goloveshkin, Alexander S.; Greindl, Julian; Limbach, Hans-Heinrich; Shenderovich, Ilya G. NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size. The journal of physical chemistry. A, 2017, 121, 8697-8705
1548379	CIF	C72 H47 B F24 N2	C 1 2/c 1	24.307; 18.043; 19.611 90; 133.202; 90	6270	Gurinov, Andrei A.; Denisov, Gleb S.; Borissova, Alexandra O.; Goloveshkin, Alexander S.; Greindl, Julian; Limbach, Hans-Heinrich; Shenderovich, Ilya G. NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size. The journal of physical chemistry. A, 2017, 121, 8697-8705
1548380	CIF	C58 H48 Ag5 F6 N17 O6 S2	C m c m	12.842; 21.083; 25.145 90; 90; 90	6808	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization. Chemical science, 2018, 9, 1481-1487
1548381	CIF	C59 H55 Ag5 F6 N17 O6 S2	P -1	14.3867; 15.4794; 18.9913 101.197; 93.2; 94.368	4125.97	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization. Chemical science, 2018, 9, 1481-1487
1548382	CIF	C64 H58 Ag4 F9 N17 O10 S2	C 1 2/c 1	32.1129; 12.1233; 24.0913 90; 130.309; 90	7152.2	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization. Chemical science, 2018, 9, 1481-1487
1548383	CIF	C73.5 H68 Ag5 F9 N18 O12.5 S3	P -1	14.8347; 15.7643; 18.6915 96.459; 93.928; 95.369	4310.55	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization. Chemical science, 2018, 9, 1481-1487
1548384	CIF	C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4	P -1	13.189; 13.561; 28.427 103.51; 90.23; 118.57	4302	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization. Chemical science, 2018, 9, 1481-1487
1548385	CIF	C67 H57 Ag5 F9 N17 O9 S3	P 1 21/c 1	14.3943; 31.0527; 22.6971 90; 125.685; 90	8240.3	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization. Chemical science, 2018, 9, 1481-1487
1548386	CIF	C58 H53 Ag5 F6 N17 O6 S2	P 1	12.278; 25.145; 12.408 90; 117.31; 90	3403.7	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization. Chemical science, 2018, 9, 1481-1487
1548387	CIF	C92 H118 As4 Co3 N16 O24	P 4 21 2	20.6668; 20.6668; 16.8568 90; 90; 90	7199.8	Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A. Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain. Chemical science, 2018, 9, 1136-1143
1548388	CIF	C56 H48 As2 Co3 N16 O12	C 1 2/c 1	17.794; 19.121; 19.042 90; 116.941; 90	5776	Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A. Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain. Chemical science, 2018, 9, 1136-1143
1548389	CIF	C50 H51 Co3 F12 N15 O P2	P 1 21 1	11.7226; 21.8073; 12.0149 90; 112.115; 90	2845.5	Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A. Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain. Chemical science, 2018, 9, 1136-1143
1548390	CIF	C92 H118 As4 Co3 N16 O24	P 4 21 2	20.6481; 20.6481; 16.8896 90; 90; 90	7200.8	Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A. Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain. Chemical science, 2018, 9, 1136-1143
1548391	CIF	C14 H14 Cl2 N2 O Ti	P 1 21/c 1	15.3461; 9.6856; 20.5438 90; 105.618; 90	2940.8	Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers Polymer Chemistry, 2018, 9, 48
1548392	CIF	C18 H24 Cl2 N2 O Ti	P 1 21/c 1	14.5895; 10.0182; 13.9424 90; 101.75; 90	1995.13	Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers Polymer Chemistry, 2018, 9, 48
1548393	CIF	C35.5 H47 Cl2 N3 Ti	P 1 21/n 1	18.8611; 19.4952; 19.5123 90; 105.765; 90	6904.8	Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers Polymer Chemistry, 2018, 9, 48
1548394	CIF	Bi9 Mn5.571 O20.143	P 1	27.72; 27.72; 39.4 90; 90; 120	26218.8	Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities. Nano letters, 2017, 17, 6575-6582
1548395	CIF	Bi9 Mn5.571 O20.143	P 1	27.72; 27.72; 78.8 90; 90; 120	52437.7	Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities. Nano letters, 2017, 17, 6575-6582
1548396	CIF	C28 H30 N4 Ni2 O15 S	I a -3	39.7584; 39.7584; 39.7584 90; 90; 90	62847.3	Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites. Chemical science, 2018, 9, 950-955
1548397	CIF	C36 H20 Co2 N6 O15	F d -3 m :2	46.6983; 46.6983; 46.6983 90; 90; 90	101836	Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites. Chemical science, 2018, 9, 950-955
1548398	CIF	C32 H29 Cl N2 O4 S	C 1 2/c 1	33.9594; 8.3689; 19.1807 90; 96.408; 90	5417.2	Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones Nature Communications, 2017, 8, 1619
1548399	CIF	C32 H29 Cl N2 O4 S	P -1	8.9003; 13.1778; 13.2084 108.296; 102.628; 99.444	1389.26	Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones Nature Communications, 2017, 8, 1619
1548400	CIF	C29 H32 Br N2 O5 P	P -1	9.6736; 12.6142; 12.7109 108.99; 99.303; 96.865	1422.5	Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones Nature Communications, 2017, 8, 1619
1548401	CIF	C32 H29 Cl N2 O4 S	P 21 21 21	8.9464; 16.7038; 19.5947 90; 90; 90	2928.2	Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones Nature Communications, 2017, 8, 1619
1548402	CIF	C33 H31 Cl N2 O4 S	P 21 21 21	8.9148; 16.9063; 19.8682 90; 90; 90	2994.5	Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones Nature Communications, 2017, 8, 1619
1548403	CIF	C28 H32 Cl N2 O4 P	C 1 2/c 1	24.051; 11.1897; 20.9345 90; 93.412; 90	5624	Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones Nature Communications, 2017, 8, 1619
1548404	CIF	C24 H19 Cl2 N O2	P 1 21/c 1	10.0939; 24.1607; 9.0663 90; 112.346; 90	2045	Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones Nature Communications, 2017, 8, 1619
1548405	CIF	C14 H9 Br O S	P 1 21 1	5.9996; 4.9812; 18.7925 90; 91.68; 90	561.38	Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter Regioselective synthesis of C3 alkylated and arylated benzothiophenes Nature Communications, 2017, 8, 14801
1548406	CIF	C25 H26 N2 O	P 1 21/n 1	8.0485; 10.3008; 24.936 90; 90.873; 90	2067.1	Yan-Yun Liu; Xu-Heng Yang; Ren-Jie Song; Shenglian Luo; Jin-Heng Li Oxidative 1,2-carboamination of alkenes with alkyl nitriles and amines toward gamma-amino alkyl nitriles Nature Communications, 2017, 8, 14720
1548407	CIF	C44 H44 B4 Cl6 Dy2 N24 O4	P 1 21/n 1	13.932; 15.014; 14.827 90; 107.69; 90	2954.8	Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes. Chemical science, 2018, 9, 1221-1230
1548408	CIF	C44 H44 B4 Cl6 N24 O4 Y2	P 1 21/n 1	13.937; 15.046; 14.786 90; 107.46; 90	2957.7	Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes. Chemical science, 2018, 9, 1221-1230
1548409	CIF	C44 H44 B4 Cl6 Gd2 N24 O4	P 1 21/n 1	14.15; 15.225; 14.969 90; 107.75; 90	3071.3	Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes. Chemical science, 2018, 9, 1221-1230
1548410	CIF	C44 H44 B4 Cl6 N24 O4 Tb2	P 1 21/n 1	14.003; 15.079; 14.825 90; 107.59; 90	2984	Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes. Chemical science, 2018, 9, 1221-1230
1548411	CIF	C20 H22 B F2 N3 O3	P -1	9.9279; 10.1181; 11.2898 69.506; 73.657; 68.894	975.26	Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison Synthesis and characterization of pyrrolyldipyrrin F-BODIPYs. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 89-98
1548412	CIF	C23 H26 N6 O6 S	P 1 21 1	10.0193; 11.4723; 10.4263 90; 92.079; 90	1197.66	Jonghoon Kim; Jinjoo Jung; Jaeyoung Koo; Wansang Cho; Won Seok Lee; Chanwoo Kim; Wonwoo Park; Seung Bum Park Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction Nature Communications, 2016, 7, 13196
1548413	CIF	C109 H96 Ag16 F32 N16 O45	R -3	50.0474; 50.0474; 32.7348 90; 90; 120	71007.4	Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls Philosophical Transactions of the Royal Society A, 2017, 375, 1-16
1548414	CIF	C12 H12 Ag2 F4 N2 O4	R -3 c	25.1849; 25.1849; 33.2733 90; 90; 120	18277.1	Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls Philosophical Transactions of the Royal Society A, 2017, 375, 1-16
1548415	CIF	C12 H12 Ag2 F4 N2 O4	P 1 21/n 1	10.5304; 5.6409; 12.1404 90; 90.863; 90	721.07	Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls Philosophical Transactions of the Royal Society A, 2017, 375, 1-16
1548416	CIF	C19 H30 O5	C 1 2/c 1	32.5104; 7.542; 18.7992 90; 123.469; 90	3845.1	Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041
1548417	CIF	C15 H20 I N O3 S	P 1 21/n 1	11.4472; 5.3308; 28.617 90; 95.192; 90	1739.12	Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041
1548418	CIF	C16 H19 N O2 S	P 21 21 21	5.9278; 8.3994; 31.263 90; 90; 90	1556.58	Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041
1548419	CIF	C12 H30 F6 O12 S7 Ti	P -1	10.198; 13.495; 13.797 99.002; 110.814; 110.231	1578.6	Daniel Lundberg; Ingmar Persson Structure of a Hydrated Sulfonatotitanyl(IV) Complex in Aqueous Solution and the Dimethylsulfoxide Solvated Titanyl(IV) Ion in Solution and Solid State Journal of Solution Chemistry, 2017, 46, 476-487
1548420	CIF	C26 H37 Br2 N O Si	P -1	8.5127; 9.9548; 16.5298 85.838; 75.41; 84.304	1347.26	Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913
1548421	CIF	C26 H39 N O Si	P 1 21/c 1	14.2427; 14.0437; 13.5442 90; 111.769; 90	2515.9	Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913
1548422	CIF	C27 H37 N O2 Si	P 1 21/n 1	16.8831; 7.8642; 19.9523 90; 100.544; 90	2604.38	Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913
1548423	CIF	C45 H62 N4 O9 Si2	P -1	10.9419; 13.4756; 18.147 83.987; 80.786; 68.014	2446.21	Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913
1548424	CIF	C18 H17 Cu N5 O5	P -1	8.7123; 8.7388; 14.342 72.586; 73.955; 62.928	915	Isolda Roger; Claire Wilson; Hans M. Senn; Stephen Sproules; Mark D. Symes An investigation into the unusual linkage isomerization and nitrite reduction activity of a novel tris(2-pyridyl) copper complex Royal Society Open Science, 2017, 4, 170593
1548425	CIF	C4.53 H3.64 Cl0.18 Co0.09 N0.53	P 1 21/n 1	18.1623; 9.7531; 24.6826 90; 109.337; 90	4125.6	Ganguly, Sumit; Conradie, Jeanet; Bendix, Jesper; Gagnon, Kevin J.; McCormick, Laura J.; Ghosh, Abhik Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States. The journal of physical chemistry. A, 2017, 121, 9589-9598
1548426	CIF	C52 H33 Br8 Cl6 Co N6	P 1 21/c 1	15.5987; 20.4468; 17.467 90; 96.297; 90	5537.4	Ganguly, Sumit; Conradie, Jeanet; Bendix, Jesper; Gagnon, Kevin J.; McCormick, Laura J.; Ghosh, Abhik Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States. The journal of physical chemistry. A, 2017, 121, 9589-9598
1548427	CIF	C38 H48 B2 N2 O2	P 1 21/a 1	17.6; 19.466; 20.232 90; 96.305; 90	6889.6	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548428	CIF	C48 H56 B2 F3 N3 O2	P 1 21/c 1	11.335; 10.991; 35.202 90; 95.263; 90	4367	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548429	CIF	C29 H39 B2 N O2	P 1 21/n 1	8.723; 23.773; 13.264 90; 99.499; 90	2712.9	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548430	CIF	C28 H38 B2 N2 O2	P 1 21/n 1	10.134; 18.98; 13.58 90; 96.976; 90	2592.7	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548431	CIF	C40 H50 B2 N2 O4	P -1	8.4242; 15.698; 28.081 89.956; 87.717; 89.896	3710.6	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548432	CIF	C49 H59 B2 N3 O4	P -1	10.951; 14.21; 16.118 104.201; 92.6541; 111.94	2228.7	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548433	CIF	C54 H69 B2 N3 O2	P 1 21/c 1	10.6242; 20.635; 22.708 90; 100.578; 90	4893.7	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548434	CIF	C37 H47 B2 N3 O2	P 1 21/n 1	10.981; 10.43; 28.55 90; 94.578; 90	3259.5	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548435	CIF	C37 H47 B2 N3 O2	P 1 21/a 1	15.319; 13.7912; 17.481 90; 112.051; 90	3423	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548436	CIF	C38 H48 B2 N2 O2	P 1 21/n 1	8.565; 33.036; 11.991 90; 90.444; 90	3393	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548437	CIF	C48 H56 B2 F3 N3 O2	P 1 21/n 1	14.692; 11.21; 27.115 90; 105.567; 90	4302	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548438	CIF	C45 H62 B2 N2 O4	P -1	11.4491; 12.8149; 15.929 74.652; 86.76; 65.452	2046.2	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548439	CIF	C49 H59 B2 N3 O4	P -1	8.034; 10.856; 26.173 97.069; 97.132; 102.212	2187.4	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548440	CIF	C53 H63 B2 N3 O2	P -1	11.821; 12.93; 16.755 101.05; 95.8819; 111.862	2289.8	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548441	CIF	C39 H37 B2 F3 N2 O2	P 21 21 21	16.004; 21.403; 32.93 90; 90; 90	11280	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548442	CIF	C39 H47 B2 F3 N2 O2	P 1 21/c 1	14.252; 17.527; 14.877 90; 93.855; 90	3707.8	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548443	CIF	C89 H112 B4 N4 O4	P -1	9.894; 12.714; 16.323 101.384; 91.511; 100.757	1973.3	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548444	CIF	C38 H47 B2 Cl N2 O2	P 1 21/c 1	10.777; 8.468; 38.298 90; 95.088; 90	3481	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548445	CIF	C45 H64 B2 N2 O3	P n a 21	19.208; 13.253; 16.091 90; 90; 90	4096.2	Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310
1548446	CIF	F Mn2 O4 V	C 1 2/c 1	13.451; 6.695; 10.126 90; 116.59; 90	815.4	Mori, D.; Yahia, H.B.; Shikano, M.; Imanishi, N.; Inaguma, Y.; Belharouak, I. Low temperature synthesis, structure and magnetic properties of Mn2[VO4]F Journal of Asian Ceramic Societies, 2017, 465, 5-460
1548447	CIF	C35 H32 O8	P -1	9.6731; 11.8776; 13.3871 110.146; 98.926; 99.616	1385.6	Huo, Hui-Xia; Zhu, Zhi-Xiang; Song, Yue-Lin; Shi, She-Po; Sun, Jing; Sun, Hui; Zhao, Yun-Fang; Zheng, Jiao; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun Anti-inflammatory Dimeric 2-(2-Phenylethyl)chromones from the Resinous Wood of Aquilaria sinensis. Journal of natural products, 2017
1548448	CIF	C25 H40 O5 Si	P b c a	11.5577; 16.8408; 24.6521 90; 90; 90	4798.3	Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin Total synthesis of atropurpuran Nature Communications, 2016, 7, 12183
1548449	CIF	C68.08 H67 Cl2.12 Fe N8 O4	P 1 21/n 1	15.4318; 20.696; 19.97 90; 99.256; 90	6294.9	Judith A. Serth-Guzzo; Ilona Turowska-Tyrk; Martin K. Safo; F. Ann Walker; Peter G. Debrunner; W. Robert Scheidt Characterization of the mixed axial ligand complex (4-cyanopyridine)(imidazole)(tetramesitylporphinato)iron(iii) perchlorate. Stabilization by synergic bonding Journal of Porphyrins and Phthalocyanines, 2016, 20, 254-264
1548450	CIF	C18 H19 N O4	I b a 2	13.146; 29.598; 8.1392 90; 90; 90	3166.9	Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones Monatshefte Fur Chemie, 2016, 147, 1747-1757
1548451	CIF	C15 H13 N O2	P 1 21/c 1	18.877; 16.644; 19.387 90; 91.781; 90	6088	Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones Monatshefte Fur Chemie, 2016, 147, 1747-1757
1548452	CIF	C30 H54 N4 O8	P 1 21 1	13.0528; 8.3014; 14.8105 90; 101.605; 90	1572.01	Li-Na Liu; Jian-Qiang Ran; Li-Jun Li; Yu Zhao; Masuo Goto; Susan L. Morris-Natschke; Kuo-Hsiung Lee; Bao-Yu Zhao; Cheng-Jian Tan Ochrocephalamine A, a new quinolizidine alkaloid from Oxytropis ochrocephala Bunge Tetrahedron Letters, 2016, 57, 5047-5049
1548453	CIF	C H0.378 D5.622 I3 N Pb	P n m a	8.81155; 12.58714; 8.55975 90; 90; 90	949.381	P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685
1548454	CIF	C3 H5 Li O3	P 1 21 1	4.5412; 4.8838; 10.1982 90; 98.226; 90	223.85	Mondal, Arobendo; Gaultois, Michael W.; Pell, Andrew J.; Iannuzzi, Marcella; Grey, Clare P.; Hutter, Jürg; Kaupp, Martin Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K. Journal of chemical theory and computation, 2017

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