Crystallography Open Database

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1548159 CIFC23 H35 N O2 SP 1 21/c 111.2235; 9.8526; 20.7922
90; 88.74; 90
2298.66M. 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 CIFC23 H35 N O2 SP 1 21/c 111.181; 9.809; 20.71
90; 88.545; 90
2271M. 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 CIFC23 H35 N O2 SP 1 21/c 110.697; 9.84; 20.854
90; 90.15; 90
2195.1M. 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 CIFC81 H65 Au4 B Cl3 F4 N P4P 1 21/n 117.579; 17.158; 25.46
90; 101.8; 90
7517Jun 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 CIFC69 H55 Au3 B Cl3 F4 N P3P -117.519; 19.67; 20.326
76.07; 81.79; 72.44
6463Jun 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 CIFC63 H56 Au3 B Cl3 F4 N P3 SiP -110.506; 16.748; 19.375
67.55; 89.98; 89.81
3150.7Jun 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 CIFC156 H124 Au8 B2 Cl6 F8 N2 P8P 1 21/n 113.435; 15.565; 35.747
90; 97.59; 90
7410Jun 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 CIFC16 H17 Co N7 O8P 1 21/c 19.8533; 25.995; 8.1782
90; 100.741; 90
2058Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.865; 25.934; 8.172
90; 100.762; 90
2053.9Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.8591; 26.027; 8.1886
90; 100.676; 90
2064.8Sheng-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 CIFC16 H17 N7 O8 ZnP 1 21/c 19.801; 27.12; 7.7592
90; 101.09; 90
2023.9Sheng-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 CIFC16 H17 N7 O8 ZnP 1 21/c 19.915; 26.133; 8.3197
90; 101.9; 90
2109.4Sheng-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 CIFC16 H17 N7 O8 ZnP 1 21/c 19.86; 25.836; 8.226
90; 102.973; 90
2042Sheng-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 CIFC16 H17 N7 O8 ZnP 1 21/c 19.871; 26.022; 8.286
90; 101.902; 90
2082.6Sheng-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 CIFC17 H19 Co N7 O8P 1 21/c 19.699; 27.857; 7.707
90; 101.44; 90
2040.9Sheng-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 CIFC18 H23 Co N7 O9P -18.037; 15.043; 18.574
90.537; 94.769; 92.761
2235Sheng-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 CIFC22 H29 Co N7 O8P 1 21/c 111; 16.03; 15.347
90; 106.744; 90
2591.4Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.849; 25.942; 8.161
90; 100.764; 90
2048.5Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.8458; 25.898; 8.1434
90; 100.839; 90
2039.4Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.7984; 27.41; 7.6404
90; 100.082; 90
2020.3Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.7948; 27.435; 7.5979
90; 100.265; 90
2009Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.794; 27.475; 7.548
90; 100.433; 90
1997.5Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.796; 27.433; 7.5962
90; 100.288; 90
2008.5Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.804; 27.417; 7.659
90; 100.03; 90
2027.2Sheng-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 CIFC16 H17 Co N7 O8P 1 21/c 19.8515; 25.892; 8.1511
90; 100.82; 90
2042.2Sheng-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 CIFC27 H34 Dy PP 1 21/n 18.197; 24.7447; 11.5021
90; 94.741; 90
2325Thomas 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 CIFC70 H83 Dy3 P3C 1 c 114.8907; 18.6253; 23.5996
90; 103.258; 90
6370.8Thomas 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 CIFC194 H286 Dy6 Li O17 P6P 1 21/c 122.321; 15.7702; 27.9921
90; 95.319; 90
9811Thomas 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 CIFC27 H34 P YP 1 21/n 18.179; 24.6788; 11.5031
90; 94.707; 90
2314Thomas 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 CIFC70 H83 P3 Y3P 1 21/c 111.6328; 25.0914; 21.5705
90; 91.002; 90
6295.1Thomas 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 CIFC99 H147 Li3 O9 P3 Y3P 1 21/c 122.3184; 15.7523; 27.9702
90; 95.358; 90
9790.4Thomas 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 CIFC37 H54 O3P 21 21 216.8269; 11.8121; 39.687
90; 90; 90
3200.4Xi 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 CIFC34 H50 Cl N3 O4 S SiP 1 21 111.197; 11.9551; 14.1022
90; 108.316; 90
1792.1Xi 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 CIFC229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5P c a b28.9075; 29.7016; 78.032
90; 90; 90
66998.2Antonio 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 CIFC336 H561 Co Cr21 F24 Fe2 N6 Ni3 O109P -125.5047; 31.7138; 31.7614
73.3116; 86.822; 78.9831
24154.7Antonio 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 CIFC518 H842 Cr28 Cu2 F32 N6 Ni4 O136 S2P -124.4826; 27.8069; 28.5719
103.388; 98.656; 115.074
16443Antonio 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 CIFC430 H719 Cr28 Cu F32 N8 Ni4 O134 S2P -117.4882; 31.3959; 57.0602
78.323; 84.724; 89.6349
30548.6Antonio 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 CIFC41.5 H31 F12 N7 P2 RuP 4125.5619; 25.5619; 12.5769
90; 90; 90
8217.88Kai 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 CIFC40 H24 Cl2 N8 O15 RuP 21 21 2113.8114; 14.0525; 20.7957
90; 90; 90
4036.13Kai 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 CIFC40 H18 Cl2 N8 O15 RuP 21 21 2113.7734; 14.0148; 20.71
90; 90; 90
3997.68Kai 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 CIFC41.5 H31 F12 N7 P2 RuP 4325.5802; 25.5802; 12.5709
90; 90; 90
8225.73Kai 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 CIFC512 H320 N120 O8 Pd6 Ru8I 4 2 232.2284; 32.2284; 38.2801
90; 90; 90
39760.4Kai 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 CIFC512 H320 N120 O8 Pd6 Ru8I 4 2 232.5722; 32.5722; 38.7258
90; 90; 90
41086.1Kai 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 CIFC28 H52 Co N6 O8 S4P 21 21 2112.153; 15.986; 18.29
90; 90; 90
3553.3Yvonne 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 CIFC21 H15 Am N3 O13.5P -111.8381; 13.3788; 15.1601
91.0206; 95.2167; 103.108
2327Samantha 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 CIFC21 H12 Cm N3 O13.3P -111.8146; 13.3852; 15.1717
90.9375; 95.3161; 103.111
2324.9Samantha 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 CIFC21 H12 Cf N3 O13P -111.7542; 13.4315; 15.1978
91.118; 95.911; 103.107
2322.17Samantha 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
1548208 CIFC40 H54 N14 O41 W12 Zn3P 1 21 115.088; 13.2353; 18.0221
90; 94.414; 90
3588.23Qiuxia 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 CIFC40 H54 N14 O41 W12 Zn3P 1 21 115.1029; 13.2535; 18.033
90; 94.44; 90
3598.8Qiuxia 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 CIFC192 H216 Au38 S24P -121.974; 22.685; 24.846
84.189; 79.598; 69.834
11425Shubo 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
1548213 CIFC54 H72 Al2 N6 Te2P 1 21/n 112.4329; 22.915; 19.419
90; 92.861; 90
5525.58Franz, 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 CIFC45 H68 Al N7 TeP 1 21/c 112.2033; 19.649; 19.497
90; 95.069; 90
4656.8Franz, 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 CIFC72 H104 Al2 N10 Te2P -110.4285; 12.9619; 15.2266
107.012; 101.576; 104.722
1817.4Franz, 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 CIFC24 H16 Cd N2 O4P 1 21/c 110.3397; 15.6399; 14.9889
90; 100.948; 90
2379.77Hao-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 CIFC24 H16 Cd N2 O4P 1 21/c 110.10785; 17.0515; 14.7514
90; 97.9248; 90
2518.18Hao-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 CIFC27 H23 Cd N3 O5P 1 21/c 19.442; 17.6271; 14.8977
90; 96.085; 90
2465.53Hao-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 CIFC27 H23 Cd N3 O5P 1 21/c 19.7055; 17.8498; 14.7845
90; 94.7485; 90
2552.49Hao-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 CIFC28 H25 Cd N3 O5P 1 21/c 19.727; 17.0204; 15.2959
90; 96.8477; 90
2514.29Hao-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 CIFC28 H25 Cd N3 O5P 1 21/c 19.7904; 17.366; 15.2569
90; 95.4829; 90
2582.11Hao-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 CIFC9 H12 I N O3P 1 21 16.2312; 5.2898; 16.469
90; 96.772; 90
539.06Arianna 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 CIFC53.66667 H31.66667 Cl2 Cu N4C 1 2/c 135.403; 18.9578; 23.171
90; 130.29; 90
11862Fan 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 CIFC18 H23 N O5P 1 21 112.6748; 5.3055; 13.6447
90; 106.479; 90
879.86Chunji 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 CIFC24 H32 O2 SiP 21 21 217.6184; 16.5442; 18.1572
90; 90; 90
2288.54Zhi-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 CIFC14 H16 O2P 1 21 17.2978; 6.7046; 11.4419
90; 90.391; 90
559.83Zhi-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 CIFC18 H22 O5P -18.7788; 9.8167; 10.4098
104.353; 109.179; 98.133
796.13Zhi-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 CIFC14 H18 O2P 21 21 2115.2428; 15.4175; 21.1538
90; 90; 90
4971.3Zhi-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 CIFC18 H8 Br2 I2 O2 S8P 1 21/n 110.501; 11.9699; 11.0318
90; 109.896; 90
1303.9Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
1548230 CIFC12 H4 Br2 I2 O2 S4P -17.008; 7.571; 9.696
111.669; 108.287; 93.393
444.9Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
1548231 CIFC12 H4 Br3 I O2 S4P -18.4688; 8.7721; 11.6407
93.405; 97.351; 91.892
855.44Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
1548232 CIFC12 H4 Br I3 O2 S4P -17.0535; 7.6622; 9.7173
111.757; 107.972; 94.14
453.5Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
1548233 CIFC12 H4 I4 O2 S4P -17.0996; 7.7287; 9.7508
111.648; 107.843; 94.7
461.74Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
Quantum ferroelectricity in charge-transfer complex crystals
Nature Communications, 2015, 6, 7469
1548234 CIFC36 H60 N7 O15.7P 1 21 18.9071; 39.9588; 13.1061
90; 109.226; 90
4404.5Sudipta 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 CIFH14 Mo6 N2 O24 TeP 312.56; 12.56; 3.944
90; 90; 120
539Zhenxin 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
1548246 CIFC158 H140 N4 O12 Si4P 21 21 2115.99; 28.164; 30.875
90; 90; 90
13904Wataru 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 CIFC76.5 H58 N2 O6P 1 21 112.65; 30.179; 16.608
90; 111.13; 90
5914Wataru 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 CIFC50 H51 NP -19.9215; 11.522; 17.8122
104.475; 93.873; 108.095
1850.6Hiroki 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 CIFC55 H58 Br3 Cl5 NP -111.6888; 15.2279; 16.1361
94.96; 111.005; 103.447
2561.8Hiroki 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 CIFC50.75 H48.5 Cl0.75 NP b c a13.17; 34.623; 36.534
90; 90; 90
16659Hiroki 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 CIFC112.5 H47 Cl N O0P -113.462; 14.743; 18.096
98.297; 101.322; 97.33
3439Hiroki 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 CIFC25 H28 O5 S2 Si2P 1 21/n 115.4348; 7.2594; 24.961
90; 93.585; 90
2791.3Henriette 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 CIFC35 H32 B2 N4P 1 21 19.19; 30.098; 10.4179
90; 102.688; 90
2811.2Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548254 CIFC31.5 H29 B2 Br N4P 1 21/n 17.4966; 14.1674; 26.033
90; 95.734; 90
2751.1Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548255 CIFC31 H32 B2 Cl N5 OP 1 21/c 17.5717; 13.808; 27.35
90; 96.647; 90
2840.2Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548256 CIFC20 H20 B2 Cl2 N4P -16.7243; 8.4506; 9.7798
76.647; 85.978; 66.7788
496.77Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548257 CIFC20 H20 B2 N4C 1 2/c 128.875; 8.473; 19.549
90; 132.202; 90
3543Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548258 CIFC22 H23 B2 F3 N4 O3 SP 1 21/c 17.2251; 14.5333; 22.5468
90; 91.921; 90
2366.2Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548259 CIFC26 H33 B3 N4 O2C 1 2/c 129.987; 7.0147; 25.999
90; 110.164; 90
5133.7Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548260 CIFC32 H32 B2 N4 SiP 1 21/c 120.534; 18.455; 7.417
90; 94.979; 90
2800.1Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548261 CIFC35 H32 B2 F2 N4 PP -18.115; 13.162; 16.232
106.603; 102.639; 104.799
1524.6Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548262 CIFC21 H20 B2 N4 O2P n a 2115.071; 8.378; 14.966
90; 90; 90
1889.7Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548263 CIFC28 H28 B2 N4P 1 21/n 18.2613; 23.616; 12.724
90; 106.778; 90
2376.8Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Ambiphilic boron in 1,4,2,5-diazadiborinine
Nature Communications, 2016, 7, 11871
1548264 CIFC11.5 H7.5 Cu O5.5P 42/n n m17.9257; 17.9257; 28.0627
90; 90; 90
9017.4Jiandong 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 CIFC25 H29 B2 Cl2 N2 O2P -19.205; 10.74; 13.922
82.773; 76.229; 74.293
1284.1Di 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 CIFC22 H26 B2 N2 O2P b c n9.3775; 22.196; 9.432
90; 90; 90
1963.2Di 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 CIFC78 H83 B4 F11 N4 O10 S2P -110.8994; 13.3303; 14.0182
98.334; 90.656; 109.608
1894.4Di 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 CIFC34.5 H39.5 B2 N2 O2.75P 1 21/n 111.3572; 9.8183; 27.031
90; 96.547; 90
2994.5Di 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 CIFC23.5 H27 B2 Cl N2 O4P 1 21/c 113.017; 6.3932; 27.756
90; 99.795; 90
2276.2Di 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 CIFC30 H18C 1 2/c 122.535; 5.356; 16.749
90; 98.687; 90
1998Yuchen 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 CIFC450 H492 B24 F18 Fe42 N240 O60 S6P n -3 n :230.8314; 30.8314; 30.8314
90; 90; 90
29308Soonchul 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 CIFC450 H548 B24 F18 Fe42 N240 O88 S6P n -3 n :230.7679; 30.7679; 30.7679
90; 90; 90
29127Soonchul 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

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