Crystallography Open Database

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1548030 CIFC84 H187 N8 Na O9 P Si6 Th2P 1 21/c 123.1479; 17.4133; 26.4947
90; 103.615; 90
10379.4Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle
Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions
Nature Communications, 2016, 7, 12884
1548031 CIFC75 H134 B N5 O3 Si3 ThP 1 21/n 118.4228; 21.7375; 20.5577
90; 108.19; 90
7821.2Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle
Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions
Nature Communications, 2016, 7, 12884
1548032 CIFC5 H7 N8 O0.5 ZnP 31 2 19.6767; 9.6767; 20.172
90; 90; 120
1635.8Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Efficient purification of ethene by an ethane-trapping metal-organic framework
Nature Communications, 2015, 6, 8697
1548033 CIFC5 H6 N8 ZnP 31 2 19.6963; 9.6963; 20.126
90; 90; 120
1638.7Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Efficient purification of ethene by an ethane-trapping metal-organic framework
Nature Communications, 2015, 6, 8697
1548034 CIFC5.7 H8.09 N8 ZnP 31 2 19.663; 9.663; 20.224
90; 90; 120
1635.4Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Efficient purification of ethene by an ethane-trapping metal-organic framework
Nature Communications, 2015, 6, 8697
1548035 CIFC5.78 H7.56 N8 ZnP 31 2 19.6896; 9.6896; 20.153
90; 90; 120
1638.6Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Efficient purification of ethene by an ethane-trapping metal-organic framework
Nature Communications, 2015, 6, 8697
1548036 CIFC5.13 H6 N8 O0.27 ZnP 31 2 19.7682; 9.7682; 20.1
90; 90; 120
1660.9Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Efficient purification of ethene by an ethane-trapping metal-organic framework
Nature Communications, 2015, 6, 8697
1548037 CIFC30 H50 N6 O9P 14.9205; 11.812; 14.637
99.369; 93.376; 98.82
826.4Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit
Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides
Nature Communications, 2016, 7, 13482
1548038 CIFC24 H12P 1 21/n 110.0403; 4.671; 15.6056
90; 106.407; 90
702.07Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall
An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth
Nature Communications, 2016, 7, 11555
1548039 CIFC24 H12P 1 21/n 110.3855; 3.8212; 17.2111
90; 96.235; 90
678.98Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall
An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth
Nature Communications, 2016, 7, 11555
1548040 CIFC14 H8 Ca O6 S Xe0.42P 1 21/n 111.6193; 5.5667; 22.9312
90; 100.897; 90
1456.47Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally
Metal-organic framework with optimally selective xenon adsorption and separation
Nature Communications, 2016, 7, 11831
1548041 CIFC14 H8 Ca Kr0.15 O6 SP 1 21/n 111.8819; 5.5555; 22.6411
90; 101.302; 90
1465.55Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally
Metal-organic framework with optimally selective xenon adsorption and separation
Nature Communications, 2016, 7, 11831
1548042 CIFC45 H69 Co N3 O13 Ru2P 1 21/n 122.3181; 23.1069; 22.5654
90; 112.263; 90
10769.5Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548043 CIFC46 H71 Cl2 Co F6 N3 O13 P Ru2P -111.466; 14.9252; 18.9394
84.303; 88.505; 68.403
2998.5Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548044 CIFC209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2P 61 2 224.8796; 24.8796; 96.7732
90; 90; 120
51876.7Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548045 CIFC216 H347 Cl2 Co Cr14 F16 N9 Ni2 O72P -119.3835; 27.6538; 29.1765
76.822; 84.5616; 89.7001
15156.9Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548046 CIFC206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72C 1 2/c 156.308; 16.4647; 30.7417
90; 93.238; 90
28455Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548047 CIFC189 H322 Co Cr14 F16 N8 Ni2 O65 S2P -116.6948; 29.8156; 31.7036
70.4222; 83.8761; 77.9945
14531.7Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548048 CIFC34 H27 B2 Co F8 N6 O7C 1 2/c 140.103; 9.0797; 21.8936
90; 106.06; 90
7660.8Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548049 CIFC44.5 H29 B2 Cl Co F8 N6 O4P -19.2332; 12.2853; 19.3386
85.098; 76.757; 88.79
2127.5Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548050 CIFC97 H161 Cr7.04 F8 N4 Ni0.96 O32P 1 21/c 116.7978; 31.2594; 24.9128
90; 103.209; 90
12735.3Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548051 CIFC110 H173 Cr7 F8 N4 Ni O32P 1 21/n 130.5037; 16.5057; 32.2556
90; 115.872; 90
14612.5Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
A modular design of molecular qubits to implement universal quantum gates
Nature Communications, 2016, 7, 11377
1548069 CIFC68 H27 Al2 F73.75 Ga N6 O8C 1 2/c 125.1999; 15.4651; 24.792
90; 112.931; 90
8898.4Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
Nature Communications, 2015, 6, 8288
1548070 CIFC108 H48 Al3 F108 In3 N12 O12P 1 21/c 122.4009; 30.7088; 20.4177
90; 95.459; 90
13981.7Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
Nature Communications, 2015, 6, 8288
1548071 CIFC422 H184 Al12 F437 In12 N40 O48P -116.2891; 25.6709; 33.2531
89.47; 87.358; 81.522
13738.4Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
Nature Communications, 2015, 6, 8288
1548072 CIFC124 H48 Al4 F144 In4 N12 O16P -134.744; 34.792; 37.21
106.127; 101.609; 118.938
34671Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
Nature Communications, 2015, 6, 8288
1548073 CIFC86 H39 Al2 F75 In2 N6 O8P 1 21/c 120.2872; 28.7711; 19.7149
90; 117.303; 90
10225.3Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
Nature Communications, 2015, 6, 8288
1548074 CIFC80 H36 Ag Al2 F76 In N4 O8P 1 21/n 116.4785; 23.7211; 25.2293
90; 97.519; 90
9777Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
Nature Communications, 2015, 6, 8288
1548075 CIFC38 H80 As2 Ge2 K2 N6 O12P 110.9738; 11.9313; 12.6146
118.021; 108.361; 96.476
1315.07Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen
Understanding of multimetallic cluster growth
Nature Communications, 2016, 7, 10480
1548076 CIFC36 H72 As2 Ge7 K2 N4 O12P -3 c 111.8653; 11.8653; 22.3848
90; 90; 120
2729.24Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen
Understanding of multimetallic cluster growth
Nature Communications, 2016, 7, 10480
1548077 CIFC68 H124 As4 Ge6 K3 N6 O18 TaP 1 21/n 113.7543; 28.6077; 22.9845
90; 92.489; 90
9035.4Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen
Understanding of multimetallic cluster growth
Nature Communications, 2016, 7, 10480
1548078 CIFC56 H116 As4.79 Ge8 K3 N8 O18 TaP -116.6082; 22.696; 23.9068
94.96; 94.036; 91.402
8951.2Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen
Understanding of multimetallic cluster growth
Nature Communications, 2016, 7, 10480
1548079 CIFC68 H90 O12 P4 Zn11A e a 227.6082; 23.0173; 24.3319
90; 90; 90
15462.1Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams
Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles
Nature Communications, 2016, 7, 13008
1548080 CIFC56 H60 O8 P4 Zn4C 1 2/c 124.3886; 10.1308; 23.8034
90; 110.684; 90
5502.2Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams
Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles
Nature Communications, 2016, 7, 13008
1548081 CIFC98 H100 O25 P6 Zn4P 1 21/c 126.8366; 19.619; 18.5191
90; 94.853; 90
9715.5Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams
Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles
Nature Communications, 2016, 7, 13008
1548082 CIFC115 H101 O21 P9 Zn6P 1 21/c 118.0222; 27.3672; 24.9782
90; 104.179; 90
11944.4Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams
Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles
Nature Communications, 2016, 7, 13008
1548083 CIFC124 H122 B3 O28 P9 Zn6P -118.9696; 19.3442; 35.8523
100.397; 98.3638; 98.829
12582.2Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams
Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles
Nature Communications, 2016, 7, 13008
1548084 CIFC51 H29 N3 O13 Zn3P -313.05; 13.05; 16.2992
90; 90; 120
2403.91Huajun He; En Ma; Yuanjing Cui; Jiancan Yu; Yu Yang; Tao Song; Chuan-De Wu; Xueyuan Chen; Banglin Chen; Guodong Qian
Polarized three-photon-pumped laser in a single MOF microcrystal
Nature Communications, 2016, 7, 11087
1548085 CIFC66 H150 Li2 N10 Si6 U2C 1 2/c 137.092; 15.8045; 22.2156
90; 140.685; 90
8251David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548086 CIFC66 H150 K2 N10 Si6 U2P b c a13.8074; 23.2204; 26.3621
90; 90; 90
8452David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548087 CIFC66 H150 N10 Rb2 Si6 U2P b c a13.7527; 23.1023; 26.7606
90; 90; 90
8502.4David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548088 CIFC66 H150 Cs2 N10 Si6 U2I 1 2/a 122.76348; 17.0958; 22.50605
90; 100.782; 90
8603.83David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548089 CIFC53 H115 K N5 O10 Si3 UP -111.3428; 16.5053; 18.3155
79.554; 85.928; 81.641
3332.79David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548090 CIFC61 H115 N5 O10 Rb Si3 UP 1 21/c 115.8741; 18.5622; 24.7397
90; 104.27; 90
7064.8David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548091 CIFC61 H115 Cs N5 O10 Si3 UP 1 21/c 116.09798; 18.4937; 24.5732
90; 103.225; 90
7121.71David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548092 CIFC41 H91 Li N5 O4 Si3 UP n 21 a25.5519; 13.37345; 14.81292
90; 90; 90
5061.83David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548093 CIFC52.5 H116.5 N5 O6 Rb Si3 UP a -323.7586; 23.7586; 23.7586
90; 90; 90
13411David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548094 CIFC45 H99 Cs N5 O6 Si3 UP 1 21/c 114.5874; 13.7318; 28.4495
90; 91.52; 90
5696.7David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548095 CIFC53 H99 K N5 O6 Si3 UP 21 21 2111.83314; 22.09845; 22.8903
90; 90; 90
5985.68David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1548158 CIFC23 H35 N O2 SP 1 21/c 121.7729; 10.4524; 9.7642
90; 88.212; 90
2221M. 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

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