Crystallography Open Database

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2108103 CIF
HKL
Paper
C12 H46 I12 N6 O5 Sb2P 1 2/c 116.0632; 8.6414; 16.3102
90; 91.994; 90
2262.6Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108104 CIF
HKL
Paper
C4 H20 I8 N2 O4 Sb2P 1 21/c 17.4437; 13.0949; 13.7941
90; 95.161; 90
1339.12Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108105 CIF
HKL
Paper
C4 H20 I8 N2 O4 Sb2P 1 21/c 17.31459; 12.9482; 13.8097
90; 94.56; 90
1303.79Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108106 CIF
HKL
Paper
C4 H12 I4 N2P -16.5154; 7.4946; 8.1299
64.759; 68.019; 69.5
324.27Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108107 CIF
HKL
Paper
C4 H12 I4 N2P -16.4948; 7.4032; 8.0819
64.087; 67.276; 69.593
314.73Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108108 CIF
HKL
Paper
C30 H48 N6 O11P -18.363; 9.394; 21.648
78.362; 88.664; 83.547
1655.2Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108109 CIF
HKL
C30 H46 N6 O10P 1 21/n 19.0367; 10.6221; 18.022
90; 102.661; 90
1687.8Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108110 CIFC30 H48 N6 O11P -18.3488; 9.356; 21.546
78.286; 88.61; 83.572
1637.6Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108111 CIFC30 H46 N6 O10P 1 21/n 19.02833; 10.6182; 18.0158
90; 102.62; 90
1685.35Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108112 CIFC30 H48 N6 O11P -18.3412; 9.356; 21.5561
78.318; 88.636; 83.546
1636.96Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108113 CIFC30 H46 N6 O10P 1 21/n 19.0297; 10.6234; 18.0121
90; 102.595; 90
1686.25Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108114 CIF
HKL
Paper
Cu0.966 Pb13.196 S24 Sb6.804P n m a24.0549; 4.1291; 11.3361
90; 90; 90
1126Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves
Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~
Acta Crystallographica Section B, 2017, 73, 369-376
2108115 CIF
HKL
Paper
C24 H29 F4 I N2 OP -17.4374; 10.2935; 16.536
105.237; 101.641; 95.607
1181Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo
Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study
Acta Crystallographica Section B, 2017, 73, 227-233
2108116 CIF
HKL
C24 H29 F4 I N2 OP 1 21/c 18.5802; 33.663; 8.752
90; 109.255; 90
2386.5Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo
Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study
Acta Crystallographica Section B, 2017, 73, 227-233
2108117 CIF
HKL
Paper
C3 H14 N2 O4 S2P 21 21 218.4086; 9.787; 11.0477
90; 90; 90
909.17Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108118 CIF
HKL
Paper
C3 H14 N2 O4 S2P 21 21 218.3714; 9.7607; 10.9874
90; 90; 90
897.79Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108119 CIF
HKL
Paper
C3 H14 N2 O4 S2P 1 21/n 115.4097; 8.0868; 15.4133
90; 108.249; 90
1824.1Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108120 CIF
HKL
Paper
C4 H14 N2 O3 S2P -16.0538; 8.5273; 9.3869
73.623; 82.681; 84.207
460.05Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108121 CIF
HKL
Paper
C5 H16 N2 O3.5 S2P 43 21 211.7872; 11.7872; 16.2851
90; 90; 90
2262.6Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108122 CIF
HKL
Paper
C6 H18 N2 O3 S2P -110.4922; 11.1455; 11.7015
62.299; 74.938; 74.082
1150.9Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108123 CIF
HKL
Paper
C42 H18 F12 I6 N2 S2P -15.9807; 14.139; 14.2774
68.516; 81.348; 86.09
1110.53Wang, Hui; Jin, Wei Jun
Cocrystal assembled by 1,4-diiodotetrafluorobenzene and phenothiazine based on C—I···π/N/S halogen bond and other assisting interactions
Acta Crystallographica Section B, 2017, 73, 210-216
2108124 CIF
HKL
Paper
C10 H8 O8 ZnC 1 2/c 115.3546; 5.8885; 11.9905
90; 100.762; 90
1065.06Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108125 CIF
HKL
C26 H22 N2 O14 Zn2P b c a16.1578; 16.5129; 21.4877
90; 90; 90
5733.2Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108126 CIF
HKL
C18 H24 Cd N2 O9P 1 21/c 110.9131; 11.3385; 17.4385
90; 94.215; 90
2151.97Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108127 CIF
HKL
C10 H16 Co N0 O12P -15.5872; 6.6969; 10.5753
77.217; 74.884; 70.434
356.02Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108128 CIF
HKL
Paper
C12 H29 Br2 Ca O15C 1 2 116.1449; 7.8881; 11.4702
90; 128.842; 90
1137.75Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108129 CIF
HKL
C12 H29 Br2 O15 SrC 1 2 116.439; 8.024; 11.1931
90; 128.142; 90
1161.2Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108130 CIF
HKL
Paper
C7 H6 O2 SP 1 21/c 17.84809; 5.89857; 14.6898
90; 100.338; 90
668.99Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108131 CIF
HKL
C7 H6 O2 SP 1 21/n 14.7811; 5.7441; 25.353
90; 94.49; 90
694.1Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108132 CIF
HKL
C7 H6 O2 SP -13.863; 6.0337; 14.4721
91.302; 93.062; 92.925
336.29Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108133 CIF
HKL
Paper
C18 H12 N6 Ni S4P -17.446; 8.8942; 9.2799
114.992; 94.904; 108.68
509.94Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108134 CIF
HKL
C13 H6 N5 Ni S4P 1 21/c 116.1805; 6.3567; 17.0872
90; 116.837; 90
1568.2Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108135 CIF
HKL
C18 H12 Cu N6 S4P -17.5458; 9.0111; 9.2574
115.334; 95.223; 108.563
520.01Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108136 CIF
HKL
C13 H6 Cu N5 S4P 1 21/c 117.418; 6.1838; 18.165
90; 126.93; 90
1564Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108137 CIF
HKL
C18 H12 N6 Ni S4P -17.4307; 8.9072; 9.2445
115.167; 94.727; 108.525
507.94Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108138 CIF
HKL
C13 H6 N5 Ni S4P 1 21/c 116.0654; 6.3464; 17.0333
90; 116.606; 90
1552.77Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108139 CIF
HKL
Paper
C13 H15 Co N2 O7P 1 21/c 112.655; 7.6693; 15.934
90; 106.636; 90
1481.7Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108140 CIF
HKL
C15 H17 Co N2 O6P 1 21/c 112.899; 7.638; 16.085
90; 108.337; 90
1504Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108141 CIF
HKL
C15 H15 Co N2 O5P 1 21/c 112.631; 7.5996; 16.109
90; 109.223; 90
1460.1Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108142 CIF
Paper
Al2 Mg3 O12 Si3I a -3 d11.4405; 11.4405; 11.4405
90; 90; 90
1497.39Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo
Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other
Acta Crystallographica Section B, 2017, 73, 722-736
2108143 CIF
HKL
Paper
C28 H38 N4 O4 S2P 1 21/a 19.34; 19.482; 8.634
90; 115.13; 90
1422.35Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
Acta Crystallographica Section B, 2017, 73, 544-549
2108144 CIFC16 H10 O2P 1 21/n 18.8423; 12.2033; 9.1817
90; 92.78; 90
989.59Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108145 CIFC16 H10 O2P 1 21/n 18.7168; 11.8642; 8.8601
90; 92.569; 90
915.37Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108146 CIFC16 H10 O2P 1 21/n 18.6563; 11.7038; 8.714
90; 92.652; 90
881.88Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108147 CIFC16 H10 O2P 1 21/n 18.5923; 11.5463; 8.584
90; 92.826; 90
850.58Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108148 CIFC16 H10 O2P 1 21/n 18.5652; 11.4704; 8.5109
90; 92.95; 90
835.06Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108149 CIFC16 H10 O2P 1 21/n 18.6187; 11.5861; 8.6105
90; 92.788; 90
858.8Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108150 CIF
Paper
C9 H12 K N2 O9 PP 21 21 218.063; 10.4358; 16.0092
90; 90; 90
1347.08Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108151 CIFC9 H12 K N2 O9 PP 21 21 218.0754; 10.387; 16
90; 90; 90
1342.1Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108152 CIFC9 H12 K N2 O9 PP 21 21 218.0778; 10.4023; 16.0137
90; 90; 90
1345.59Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108153 CIFC9 H12 K N2 O9 PP 21 21 218.067; 10.4871; 16.0561
90; 90; 90
1358.34Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108154 CIFC9 H12 K N2 O9 PP 21 21 218.0835; 10.5221; 16.0738
90; 90; 90
1367.16Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108158 CIFH3 O4 PP 1 21/c 15.707; 4.82; 11.436
90; 94.75; 90
313.5Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108159 CIFH3 O4 PP 21 21 214.619; 8.479; 14.38
90; 90; 90
563.2Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108160 CIFD3 O4 PP 1 21/c 15.7493; 4.83921; 11.617
90; 95.15; 90
321.9Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108161 CIFD3 O4 PP 1 21/c 15.6927; 4.81609; 11.4468
90; 94.704; 90
312.77Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108162 CIFD3 O4 PP 1 21/c 15.6334; 4.78996; 11.3055
90; 94.255; 90
304.22Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108163 CIFD3 O4 PP 1 21/c 15.5686; 4.7647; 11.1762
90; 93.81; 90
295.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108164 CIFD3 O4 PP 1 21/c 15.5356; 4.7522; 11.1169
90; 93.561; 90
291.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108165 CIFD3 O4 PP 1 21/c 15.5049; 4.7401; 11.0668
90; 93.355; 90
288.28Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108166 CIFD3 O4 PP 1 21/c 15.4357; 4.7148; 10.9698
90; 92.874; 90
280.78Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108167 CIFD3 O4 PP 1 21/c 15.403; 4.7036; 10.9238
90; 92.633; 90
277.32Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108168 CIFD3 O4 PP 1 21/c 15.7466; 4.8378; 11.6028
90; 95.107; 90
321.29Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108169 CIFD3 O4 PP 21 21 214.6648; 8.6057; 14.5932
90; 90; 90
585.83Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108170 CIFD3 O4 PP 21 21 214.6494; 8.558; 14.5078
90; 90; 90
577.26Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108171 CIFD3 O4 PP 21 21 214.6332; 8.5169; 14.4323
90; 90; 90
569.51Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108172 CIFD3 O4 PP 21 21 214.6206; 8.481; 14.388
90; 90; 90
563.83Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108173 CIFD3 O4 PP 21 21 214.6022; 8.4597; 14.3291
90; 90; 90
557.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108174 CIFD3 O4 PP 21 21 214.598; 8.4429; 14.3036
90; 90; 90
555.27Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108175 CIFD3 O4 PP 21 21 214.5932; 8.4323; 14.2795
90; 90; 90
553.06Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108176 CIFD3 O4 PP 21 21 214.5868; 8.4232; 14.2653
90; 90; 90
551.15Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108177 CIFD3 O4 PP 21 21 214.5831; 8.411; 14.2424
90; 90; 90
549.02Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108178 CIFD3 O4 PP 21 21 214.5791; 8.4031; 14.2214
90; 90; 90
547.22Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108179 CIFD3 O4 PP 21 21 214.5689; 8.3733; 14.1755
90; 90; 90
542.31Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108180 CIFD3 O4 PP 21 21 214.5639; 8.3606; 14.1535
90; 90; 90
540.05Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108181 CIFD3 O4 PP 21 21 214.5599; 8.3496; 14.1332
90; 90; 90
538.1Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108182 CIFD3 O4 PP 21 21 214.5549; 8.3362; 14.1067
90; 90; 90
535.64Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108183 CIFD3 O4 PP 21 21 214.5456; 8.3104; 14.0631
90; 90; 90
531.24Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108184 CIFD3 O4 PP 21 21 214.5338; 8.2726; 13.9867
90; 90; 90
524.59Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108185 CIFD3 O4 PP 21 21 214.5214; 8.2332; 13.9189
90; 90; 90
518.14Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108186 CIFD3 O4 PP 21 21 214.5121; 8.2009; 13.8569
90; 90; 90
512.75Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108187 CIF
HKL
C10 H11 N O2C 1 2/c 111.0366; 13.2899; 6.3763
90; 99.548; 90
922.29Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli
Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione
Acta Crystallographica Section B, 2017, 73, 1172-1178
2108188 CIF
HKL
C10 H11 N O2P -16.2755; 8.6368; 8.657
101.482; 96.2307; 96.0785
453.17Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli
Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione
Acta Crystallographica Section B, 2017, 73, 1172-1178
2108189 CIF
HKL
Paper
C4 H14 Cl4 Ir K O3 S2P 1 21/c 112.1963; 7.4652; 16.4793
90; 96.055; 90
1492.03Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108190 CIF
HKL
C4 H12.5 Cl4 Ir K O2.25 S2P 1 21/c 112.753; 7.8356; 15.3277
90; 111.581; 90
1424.29Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108191 CIF
HKL
C8 H25 Cl4 Ir N O2.5 S2C 1 2/c 119.821; 10.083; 19.572
90; 108.657; 90
3706.01Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108192 CIF
HKL
C4 H12 Cl4 Ir K O2 S2P 1 21/n 18.9902; 15.199; 10.7569
90; 91.425; 90
1469.4Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108193 CIF
HKL
Paper
C6 H13 N O2C 1 2/c 131.231; 4.7296; 9.8739
90; 91.719; 90
1457.82Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U.
On the stacking disorder of <small>DL</small>-norleucine
Acta Crystallographica Section B, 2017, 73, 1075-1084
2108194 CIF
HKL
H7.84 K1.29 N1.71 O8 S2R -3 :H5.7768; 5.7768; 22.0983
90; 90; 120
638.65Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A.
New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase
Acta Crystallographica Section B, 2017, 73, 1105-1113
2108195 CIF
HKL
C15 H19 N2 O2.5 SP 318.4102; 8.4102; 36.562
90; 90; 120
2239.61Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108196 CIF
HKL
C15 H18 N2 O2 SP 21 21 216.2287; 8.9737; 25.9694
90; 90; 90
1451.55Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108197 CIF
HKL
C15 H18 N2 O2 SP 1 21 17.3126; 27.1077; 7.3745
90; 106.064; 90
1404.75Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108198 CIF
HKL
C15 H18 N2 O2 SP 1 21 19.8928; 9.0312; 16.447
90; 97.8246; 90
1455.76Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108199 CIF
HKL
C15 H18 N2 O2 SP 17.4536; 7.4603; 13.6011
79.6877; 89.2981; 69.3688
695.31Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108200 CIF
HKL
C15 H18 N2 O2 SP 21 21 219.8689; 10.6838; 13.6421
90; 90; 90
1438.39Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108201 CIF
HKL
C14 H16 N2 O2 SP 43 21 27.743; 7.743; 43.5343
90; 90; 90
2610.06Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108202 CIF
HKL
C14 H16 N2 O2 SP 21 21 2110.0987; 11.0883; 12.0825
90; 90; 90
1352.97Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108203 CIF
HKL
C14 H16 N2 O2 SP 21 21 217.7112; 11.6576; 14.8171
90; 90; 90
1332Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108204 CIF
HKL
C14 H16 N2 O2 SP 21 21 2113.4996; 14.5841; 20.5461
90; 90; 90
4045.1Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108205 CIFC4 H4 O4P b c a5.1174; 7.3666; 11.7174
90; 90; 90
441.72Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157

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