Crystallography Open Database

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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
2108155 CIFC13 H9 N O5P 21 21 215.6052; 8.5753; 22.881
90; 90; 90		1099.8Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Kumar, Binay
X-ray, dielectric, piezoelectric and optical analyses of a new nonlinear optical 8-hydroxyquinolinium hydrogen squarate crystal
Acta Crystallographica Section B, 2018, 74, 12-23
2108156 CIF
HKL		Cu3 H4 O8 TeC m c m2.93172; 11.8414; 8.6047
90; 90; 90		298.72Missen, O. P.; Mills, S. J.; Welch, M. D.; Spratt, J.; Rumsey, M. S.; Birch, W. D.; Brugger, J.
The crystal structure of cesbronite, Cu~3~TeO~4~(OH)~4~: a novel sheet tellurate topology
Acta Crystallographica Section B, 2018, 74, 24-31
2108157 CIF
HKL		K Mn2 O10 V3P -16.912; 6.993; 9.656
101.858; 102.627; 100.669		432.6Yakubovich, Olga; Shvanskaya, Larisa; Pchelkina, Zlata; Dimitrova, Olga; Volkov, Anatoliy; Volkova, Olga; Vasiliev, Alexander
A novel representative in the rare family of trivanadates, KMn~2~V~3~O~10~: synthesis, crystal structure and magnetic properties
Acta Crystallographica Section B, 2018, 74, 97-103
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
2108206 CIFC4 H4 O4P b c a4.9209; 7.1818; 11.5243
90; 90; 90		407.28Hutchison, 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
2108207 CIFC4 H4 O4P b c a4.8571; 7.1033; 11.4462
90; 90; 90		394.91Hutchison, 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
2108208 CIFC4 H4 O4P b c a4.7757; 6.993; 11.3384
90; 90; 90		378.66Hutchison, 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
2108209 CIFC4 H4 O4P b c a4.7321; 6.9298; 11.2798
90; 90; 90		369.89Hutchison, 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
2108210 CIF
HKL		C18 H16 Cl N3 O2P b c a9.507; 7.9958; 43.262
90; 90; 90		3288.6Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.
Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids
Acta Crystallographica Section B, 2018, 74, 42-48
2108211 CIF
HKL		C49 H54 N6 O13P -19.304; 15.756; 15.829
94.54; 93.95; 104.56		2229.4Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.
Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids
Acta Crystallographica Section B, 2018, 74, 42-48
2108212 CIFC40 H36 N6 O8P 1 21/c 110.145; 18.472; 9.421
90; 91.423; 90		1764.9Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.
Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids
Acta Crystallographica Section B, 2018, 74, 42-48
2108213 CIF
HKL		C44 H44 N6 O8P -17.889; 9.157; 14.832
86.153; 83.38; 69.517		996.6Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.
Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids
Acta Crystallographica Section B, 2018, 74, 42-48
2108214 CIF
HKL		C48 H52 N6 O8P 1 21/c 17.5496; 16.434; 17.094
90; 93.547; 90		2116.8Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.
Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids
Acta Crystallographica Section B, 2018, 74, 42-48
2108215 CIF
HKL		Al16 F4.77 Mn24 O91.23 Si20.61I 41/a c d :211.6446; 11.6446; 11.6548
90; 90; 90		1580.35Antao, Sytle M.; Cruickshank, Laura A.
Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets
Acta Crystallographica Section B, 2018, 74, 104-114
2108216 CIF
HKL		Al0.48 Ca24 H32 Mn15.52 O96 Si16.19I 41/a c d :212.4908; 12.4908; 11.9092
90; 90; 90		1858.07Antao, Sytle M.; Cruickshank, Laura A.
Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets
Acta Crystallographica Section B, 2018, 74, 104-114
2108217 CIF
HKL		B4 Bi0.056 Fe3 O12 Y0.944P 31 2 19.5161; 9.5161; 7.5441
90; 90; 120		591.638Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108218 CIF
HKL		B4 Bi0.053 Fe3 O12 Y0.947P 31 2 19.5191; 9.5191; 7.5517
90; 90; 120		592.607Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108219 CIF
HKL		B4 Bi0.054 Fe3 O12 Y0.946P 31 2 19.5261; 9.5261; 7.5589
90; 90; 120		594.045Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108220 CIF
HKL		B4 Bi0.05 Fe3 O12 Y0.95P 31 2 19.5194; 9.5194; 7.5552
90; 90; 120		592.92Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108221 CIF
HKL		B4 Bi0.05 Fe3 O12 Y0.95P 31 2 19.5259; 9.5259; 7.5624
90; 90; 120		594.295Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108222 CIF
HKL		B4 Bi0.053 Fe3 O12 Y0.947P 31 2 19.5245; 9.5245; 7.557
90; 90; 120		593.696Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108223 CIF
HKL		B4 Bi0.05 Fe3 O12 Y0.95R 3 2 :H9.5272; 9.5272; 7.5618
90; 90; 120		594.41Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108224 CIF
HKL		B4 Bi0.051 Fe3 O12 Y0.949R 3 2 :H9.5265; 9.5265; 7.5561
90; 90; 120		593.875Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108225 CIF
HKL		B4 Bi0.053 Fe3 O12 Y0.947R 3 2 :H9.5321; 9.5321; 7.5627
90; 90; 120		595.093Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108226 CIF
HKL		B4 Bi0.054 Fe3 O12 Y0.946R 3 2 :H9.5394; 9.5394; 7.5765
90; 90; 120		597.092Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108227 CIF
HKL		B4 Bi0.05 Fe3 O12 Y0.95P 31 2 19.5131; 9.5131; 7.5396
90; 90; 120		590.912Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108228 CIF
HKL		B4 Bi0.058 Fe3 O12 Y0.942P 31 2 19.5217; 9.5217; 7.5547
90; 90; 120		593.167Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108229 CIF
HKL		B4 Bi0.047 Fe3 O12 Y0.953R 3 2 :H9.5282; 9.5282; 7.5609
90; 90; 120		594.464Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108230 CIF
HKL		B4 Bi0.042 Fe3 O12 Y0.958R 3 2 :H9.5254; 9.5254; 7.5674
90; 90; 120		594.626Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
Acta Crystallographica Section B, 2018, 74
2108231 CIF
HKL
Paper		C2 H2 O8 Pb3R -3 m :H5.2475; 5.2475; 23.6795
90; 90; 120		564.69Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick
Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy
Acta Crystallographica Section B, 2018, 74
2108232 CIF
HKL		C0.67 H0.67 O2.67 PbR -3 m :H5.257; 5.257; 23.636
90; 90; 120		565.7Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick
Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy
Acta Crystallographica Section B, 2018, 74
2108233 CIF
HKL
Paper		Al1.67 Ca0.67 Na0.33 O8 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754		1333.97Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108234 CIF
HKL
Paper		Al1.67 Ca0.67 Na0.33 O8 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754		1333.97Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108235 CIF
HKL
Paper		Al1.66 Ca0.66 Na0.34 O8 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297		1334.41Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108236 CIF
HKL
Paper		Al1.66 Ca0.66 Na0.34 O8 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297		1334.41Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108237 CIF
HKL
Paper		Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73		1334.35Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108238 CIF
HKL
Paper		Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73		1334.35Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108239 CIF
HKL
Paper		Al1.67 Ca0.67 Na0.33 O8 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754		1333.97Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108240 CIF
HKL
Paper		Al1.66 Ca0.66 Na0.34 O8 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297		1334.41Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108241 CIF
HKL
Paper		Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73		1334.35Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108242 CIF
HKL
Paper		Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1662; 12.868; 14.1927
93.4772; 116.143; 90.6664		1335.14Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108243 CIF
HKL
Paper		Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.172; 12.8675; 14.189
93.4437; 116.073; 90.649		1336.58Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108244 CIF
HKL
Paper		Al1.6 Ca0.6 Na0.4 O8 Si2.4I -18.1602; 12.8612; 14.1975
93.5348; 116.118; 90.4334		1334.33Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
Acta Crystallographica Section B, 2018, 74
2108245 CIF
HKL		B4 Er6 O15P 1 21/n 18.3553; 15.4882; 8.8208
90; 91.899; 90		1140.86Wang, Yan; Zhang, Wei; Li, Ziyi; Li, Jianfu; Zhu, Zhaojie; You, Zhenyu; Tu, Chaoyang
Crystal growth, structure and characterization of Er~6~B~4~O~15~ as self-activated eye-safe laser material within the near-infrared waveband
Acta Crystallographica Section B, 2018, 74
2108246 CIF
HKL
Paper		K2 O12 Si5 ZnI a -3 d13.3772; 13.3772; 13.3772
90; 90; 90		2393.84Bell, Anthony M. T.; Henderson, C. Michael B.
Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles
Acta Crystallographica Section B, 2018, 74
2108247 CIF
HKL
Paper		Mn O12 Rb2 Si5I a -3 d13.5635; 13.5635; 13.5635
90; 90; 90		2495.26Bell, Anthony M. T.; Henderson, C. Michael B.
Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles
Acta Crystallographica Section B, 2018, 74
2108248 CIF
HKL
Paper		Fe K2 O12 Si5P 1 21/c 113.2574; 13.6739; 12.924
90; 93.048; 90		2339.55Bell, Anthony M. T.; Henderson, C. Michael B.
Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles
Acta Crystallographica Section B, 2018, 74
2108249 CIF
HKL
Paper		K2 O12 Si5 ZnP 1 21/c 113.1773; 13.6106; 13.02481
90; 91.6981; 90		2334.99Bell, Anthony M. T.; Henderson, C. Michael B.
Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles
Acta Crystallographica Section B, 2018, 74
2108250 CIF
HKL
Paper		Co K2 O12 Si5P 1 21/c 113.18783; 13.63495; 12.98764
90; 91.9994; 90		2333.96Bell, Anthony M. T.; Henderson, C. Michael B.
Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles
Acta Crystallographica Section B, 2018, 74
2108251 CIF
HKL
Paper		Co K2 O12 Si5I a -3 d13.3767; 13.3767; 13.3767
90; 90; 90		2393.57Bell, Anthony M. T.; Henderson, C. Michael B.
Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles
Acta Crystallographica Section B, 2018, 74
2108252 CIF
HKL		Bi2 O6 WP c a 215.4345; 16.4324; 5.4558
90; 90; 90		487.21Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki
Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure
Acta Crystallographica Section B, 2018, 74, 295-303
2108253 CIF
HKL		C13 H25 N3 O3P 21 21 215.341; 13.536; 21.406
90; 90; 90		1547.6Görbitz, Carl Henrik
Hydrophobic dipeptides: the final piece in the puzzle
Acta Crystallographica Section B, 2018, 74, 311-318
2108254 CIFC33 H36 N6P 21 21 2154.631; 8.004; 6.5754
90; 90; 90		2875.2Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till
Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction
Acta Crystallographica Section B, 2018, 74, 287-294
2108255 CIF
HKL		C21 H29 N O4 SP 1 21/c 18.7198; 20.996; 10.9186
90; 94.357; 90		1993.2Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate
Acta Crystallographica Section B, 2018, 74, 304-310
2108256 CIF
HKL		C21 H31 N O5 SP 1 21/n 18.2086; 17.9355; 15.0983
90; 94.77; 90		2215.15Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate
Acta Crystallographica Section B, 2018, 74, 304-310
2108257 CIF
HKL		C14 H15 Fe N2 O7P -18.6448; 9.026; 10.773
93.169; 100.097; 99.996		811.8Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.
Control of crystal structure using temperature and time
Acta Crystallographica Section B, 2018, 74
2108258 CIF
HKL		C48 H40 Fe4 N4 O24P -4 21 c13.2415; 13.2415; 14.9977
90; 90; 90		2629.7Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.
Control of crystal structure using temperature and time
Acta Crystallographica Section B, 2018, 74
2108259 CIF
HKL		C48 H40 Fe4 N4 O24P -114.5961; 14.7434; 15.214
112.713; 106.08; 105.946		2619.1Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.
Control of crystal structure using temperature and time
Acta Crystallographica Section B, 2018, 74
2108260 CIF
HKL		Cu0.184 F3 H8 Mg0.816 O12 U3C 1 m 17.1015; 11.7489; 8.1954
90; 98.087; 90		676.98Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří
Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine
Acta Crystallographica Section B, 2018, 74
2108261 CIF
HKL		C12 H13 NP 21 21 216.1147; 7.9668; 19.4856
90; 90; 90		949.23Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108262 CIF
HKL		C13 H14 Br NP 1 21/c 18.7856; 11.6453; 10.6401
90; 90.47; 90		1088.56Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108263 CIF
HKL		C13 H14 Br NP b c n23.769; 11.2921; 8.2022
90; 90; 90		2201.5Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108264 CIF
HKL		C13 H14 Br NP 1 21/c 19.54; 6.2063; 18.8852
90; 98.474; 90		1105.95Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108265 CIF
HKL		C13 H14 Cl NP 1 21/c 18.6883; 11.7901; 10.3129
90; 90.892; 90		1056.3Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108266 CIF
HKL		C13 H14 Cl NP 1 21/c 112.1278; 8.1084; 11.2668
90; 108.995; 90		1047.61Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108267 CIF
HKL		C13 H14 Cl NP 1 21/n 19.8035; 22.7092; 9.9786
90; 101.405; 90		2177.7Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108268 CIF
HKL		C13 H14 F NP b c n11.9582; 9.106; 18.7079
90; 90; 90		2037.1Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108269 CIF
HKL		C13 H14 F NP 1 21/n 19.8202; 22.0098; 9.8725
90; 101.926; 90		2087.8Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108270 CIF
HKL		C12 H12 Br NP b c a10.1791; 8.7625; 22.946
90; 90; 90		2046.7Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108271 CIF
HKL		C12 H12 Br NC 1 2/c 124.4539; 6.168; 16.2352
90; 124.277; 90		2023.5Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108272 CIF
HKL		C12 H12 Cl NP b c a10.8001; 8.8083; 21.0408
90; 90; 90		2001.6Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108273 CIF
HKL		C12 H12 Cl NP 1 21 15.7132; 8.1116; 10.878
90; 96.698; 90		500.68Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108274 CIF
HKL		C12 H12 Cl NC 1 2/c 124.4577; 6.0867; 16.309
90; 125.8; 90		1969.2Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108275 CIF
HKL		C12 H12 F NC 1 2/c 117.4633; 11.1118; 9.6718
90; 91.282; 90		1876.33Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108276 CIF
HKL		C12 H12 F NP 21 21 216.1937; 7.4492; 19.92
90; 90; 90		919.07Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108277 CIF
HKL		C12 H12 F NP 21 21 216.0226; 7.8459; 20.1968
90; 90; 90		954.35Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108278 CIF
HKL		C12 H12 F NP 1 21/n 110.5411; 8.1081; 21.98
90; 98.61; 90		1857.4Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108279 CIF
HKL
Paper		C13 H11 N15 O18P b c a9.6268; 19.292; 24.606
90; 90; 90		4569.8Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu
High-density HNIW/TNT cocrystal synthesized using a green chemical method
Acta Crystallographica Section B, 2018, 74
2108280 CIF
HKL		C10 H8P 1 21/a 17.7154; 5.9019; 7.6969
90; 100.411; 90		344.712Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A.
Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder
Acta Crystallographica Section B, 2018, 74
2108281 CIF
HKL		C18 H24 Au Fe PP b c a13.8822; 11.6188; 22.115
90; 90; 90		3567Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108282 CIF
HKL		C18 H24 Au Fe PP b c a13.8732; 11.6316; 22.124
90; 90; 90		3570.1Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108283 CIF
HKL		C18 H24 Au Fe PP b 21 a13.872; 11.644; 21.96
90; 90; 90		3547Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108284 CIF
HKL		C18 H24 Au Fe PP b c a14.0011; 11.6244; 21.893
90; 90; 90		3563.2Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108285 CIF
HKL
Paper		C14 H8 F3 OP 1 21/c 123.238; 7.5293; 6.2437
90; 92.83; 90		1091.1Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.
Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer
Acta Crystallographica Section B, 2018, 74
2108286 CIF
HKL
Paper		C14 H8 F3 OP 1 21/c 111.505; 6.235; 16.0118
90; 109.293; 90		1084.08Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.
Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer
Acta Crystallographica Section B, 2018, 74
2108287 CIF
HKL
Paper		C28 H16 F6 O2P 1 21/c 120.5435; 6.2569; 35.797
90; 106.649; 90		4408.4Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.
Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer
Acta Crystallographica Section B, 2018, 74
2108288 CIF
HKL		C6 H2 Cl4P 1 21/c 13.8682; 14.9766; 13.4758
90; 90.378; 90		780.67Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108289 CIF
HKL		C6 H2 Cl4P 1 21/c 13.79937; 14.8635; 13.3272
90; 89.674; 90		752.6Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108290 CIF
HKL		C6 H2 Cl4P 1 21/c 13.83433; 23.9377; 17.2355
90; 94.293; 90		1577.52Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108291 CIF
HKL		C6 H2 Cl4P 1 21/c 13.76927; 23.6053; 17.174
90; 94.902; 90		1522.46Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108292 CIF
HKL		C12 H24 Ca O15P 21 21 216.71198; 13.3641; 19.5439
90; 90; 90		1753.08Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.
Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate
Acta Crystallographica Section B, 2018, 74
2108293 CIF
HKL		C12 H22 Ca O12P 21 21 26.7573; 19.5874; 5.7344
90; 90; 90		758.99Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.
Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate
Acta Crystallographica Section B, 2018, 74
2108294 CIFC13 H11 N3 O2P 1 21/c 18.4553; 10.1812; 13.408
90; 98.646; 90		1141.1Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2108295 CIFC13 H13 N3 O3P b c a7.0488; 12.15; 28.649
90; 90; 90		2453.6Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2108296 CIF
Paper		C13 H10 I N3 OP -110.0223; 11.1984; 12.4505
109.836; 101.25; 97.494		1259.58Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2108297 CIFC15 H11 I N4I 4115.0197; 15.0197; 12.8791
90; 90; 90		2905.41Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2108298 CIFC15 H11 Br N4P 1 21/c 114.8761; 4.0269; 23.183
90; 105.81; 90		1336.23Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2108299 CIFC16 H14 Cl2 N4 OP 1 21/c 19.51859; 15.70955; 21.6869
90; 98.0651; 90		3210.83Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2108300 CIFC13 H10 Br N3 OP 1 21/c 118.763; 6.5126; 10.1237
90; 95.458; 90		1231.5Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck
Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane
Acta Crystallographica Section B, 2018, 74
2108301 CIF
HKL
Paper		C14 H9 Cl F3 N OP 1 21/c 14.7568; 19.9611; 13.4063
90; 98.457; 90		1259.1Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108302 CIF
HKL
Paper		C14 H9 Cl F3 N OP 1 21/n 14.808; 9.7371; 27.708
90; 91.735; 90		1296.6Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108303 CIF
HKL
Paper		C14 H9 Cl F3 N OP -14.8189; 9.4501; 14.0283
96.048; 93.4; 93.414		632.77Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108304 CIF
HKL
Paper		C14 H9 Cl F3 N OP c a 217.7658; 19.1333; 8.8369
90; 90; 90		1313.03Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108305 CIF
HKL
Paper		C14 H9 Cl F3 N OP 1 21/c 125.6147; 5.3354; 9.3918
90; 96.775; 90		1274.56Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108306 CIF
HKL
Paper		C14 H9 Cl F3 N OP -15.1563; 10.7617; 11.9075
99.948; 91.911; 102.379		633.98Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108307 CIF
HKL
Paper		C14 H9 Cl F3 N OP 1 21/c 19.445; 15.275; 18.954
90; 97.374; 90		2711.9Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108308 CIF
HKL
Paper		C14 H9 Cl F3 N OP 1 21/c 112.8325; 10.3856; 9.7379
90; 93.059; 90		1295.95Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108309 CIF
HKL
Paper		C14 H9 Cl F3 N OP 1 21/c 116.952; 5.2521; 28.76
90; 94.966; 90		2551Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108310 CIF
HKL
Paper		C14 H9 Br F3 N OP 1 21/n 14.7992; 10.0208; 27.428
90; 91.755; 90		1318.44Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108311 CIF
HKL
Paper		C14 H9 Br F3 N OP 1 21/n 14.8056; 27.8678; 9.8421
90; 94.227; 90		1314.48Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108312 CIF
HKL
Paper		C14 H9 Br F3 N OP c a 217.8062; 19.3; 8.8433
90; 90; 90		1332.33Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108313 CIF
HKL
Paper		C14 H9 Br F3 N OP 1 21 14.8588; 4.9939; 26.0286
90; 91.448; 90		631.37Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108314 CIF
HKL
Paper		C14 H9 Br F3 N OP 1 21/c 113.018; 10.488; 9.7309
90; 94.432; 90		1324.6Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108315 CIF
HKL
Paper		C14 H9 Br F3 N OP 1 21/c 116.9434; 5.2417; 29.141
90; 94.775; 90		2579.09Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108316 CIF
HKL
Paper		C14 H9 F3 I N OP 1 21/c 120.7974; 6.5752; 9.6889
90; 93.899; 90		1321.86Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108317 CIF
HKL
Paper		C14 H9 F3 I N OP 1 21/c 111.0022; 4.7359; 26.562
90; 97.636; 90		1371.7Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108318 CIF
HKL
Paper		C14 H9 F3 I N OP 1 21/c 120.584; 7.1797; 9.1451
90; 97.122; 90		1341.1Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108319 CIF
HKL
Paper		C14 H9 F3 I N OP c a 217.9499; 19.6384; 8.8397
90; 90; 90		1380.08Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108320 CIF
HKL
Paper		C14 H9 F3 I N OP 1 21/c 126.9793; 5.2899; 9.5068
90; 95.747; 90		1349.97Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108321 CIF
HKL
Paper		C14 H9 F3 I N OP 1 21 14.9085; 4.9644; 26.7593
90; 92.549; 90		651.42Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108322 CIF
HKL
Paper		C14 H9 F3 I N OP 1 21/c 113.292; 10.708; 9.762
90; 96.305; 90		1381Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108323 CIF
HKL
Paper		C14 H9 F3 I N OP 1 21/c 114.7689; 5.2518; 17.2537
90; 93.217; 90		1336.1Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides
Acta Crystallographica Section B, 2018, 74
2108324 CIF
HKL		C24 H22 Cl N9 O5 SP -17.522; 8.11; 20.892
92.574; 98.836; 103.844		1218.3Peng, Bo; Wang, Jian-Rong; Mei, Xuefeng
Triamterene‒furosemide salt: structural aspects and physicochemical evaluation
Acta Crystallographica Section B, 2018, 74
2108325 CIFBa F2.8 Li O0.1P m -3 m3.9978; 3.9978; 3.9978
90; 90; 90		63.894Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen
The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways
Acta Crystallographica Section B, 2018, 74
2108326 CIFBa F2.8 Li O0.1P m -3 m4.0406; 4.0406; 4.0406
90; 90; 90		65.969Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen
The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways
Acta Crystallographica Section B, 2018, 74
2108327 CIFBa F2.8 Li O0.1P m -3 m4.0581; 4.0581; 4.0581
90; 90; 90		66.83Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen
The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways
Acta Crystallographica Section B, 2018, 74
2108328 CIFBa F2.8 Li O0.1P m -3 m4.0763; 4.0763; 4.0763
90; 90; 90		67.733Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen
The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways
Acta Crystallographica Section B, 2018, 74
2108329 CIFBa F2.8 Li O0.1P m -3 m3.997; 3.997; 3.997
90; 90; 90		63.86Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen
The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways
Acta Crystallographica Section B, 2018, 74
2108330 CIFC8 H16 Cu2 O10C 1 2/c 113.08438; 8.50319; 14.05022
90; 119.309; 90		1363.12Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef
Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study
Acta Crystallographica Section B, 2018, 74
2108331 CIFC8 H16 Cr2 O10C 1 2/c 113.10149; 8.56324; 14.14837
90; 119.121; 90		1386.68Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef
Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study
Acta Crystallographica Section B, 2018, 74
2108332 CIF
HKL		H0 Na2 O14 Si4 VP 1 21 114.3328; 9.1209; 10.3732
90; 90.007; 90		1356.07Danisi, Rosa Micaela; Armbruster, Thomas
Dehydration of microporous vanadosilicates: the case of VSH-13Na
Acta Crystallographica Section B, 2018, 74, 483-491
2108333 CIFH0 Na2 O14 Si4 VP 1 21 114.364; 9.134; 10.373
90; 90.056; 90		1360.9Danisi, Rosa Micaela; Armbruster, Thomas
Dehydration of microporous vanadosilicates: the case of VSH-13Na
Acta Crystallographica Section B, 2018, 74, 483-491
2108334 CIFH0 Na2 O11 Si4 VP 1 21 112.584; 9.525; 9.696
90; 90.1; 90		1162Danisi, Rosa Micaela; Armbruster, Thomas
Dehydration of microporous vanadosilicates: the case of VSH-13Na
Acta Crystallographica Section B, 2018, 74, 483-491
2108335 CIF
HKL		C14 H12 N2 O2P b c a14.5448; 6.5214; 23.8246
90; 90; 90		2259.82Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid
Acta Crystallographica Section B, 2018, 74, 725-737
2108336 CIF
HKL		C13 H9 Br N2 OP 1 21/c 112.8423; 7.0971; 12.6239
90; 107.188; 90		1099.19Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid
Acta Crystallographica Section B, 2018, 74, 725-737
2108337 CIF
HKL		C22 H20 B2 N2 O4P 1 21 110.7147; 34.282; 10.9168
90; 93.176; 90		4003.8Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid
Acta Crystallographica Section B, 2018, 74, 725-737
2108338 CIF
HKL		C43 H38 B4 N4 O9C 1 2/c 121.8035; 10.4647; 19.3032
90; 111.794; 90		4089.6Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid
Acta Crystallographica Section B, 2018, 74, 725-737
2108339 CIF
HKL		C19 H13 B2 Br N2 O3P -18.9492; 14.5926; 15.0762
66.778; 82.477; 86.204		1793.5Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid
Acta Crystallographica Section B, 2018, 74, 725-737
2108340 CIF
HKL
Paper		Br2 Cu O6 Pb2 Se2P 1 21/n 16.9097; 5.5036; 24.8544
90; 93.808; 90		943.08Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108341 CIF
HKL		Br6 Cu O12 Pb6 Se4P 1 21/c 111.154; 12.95; 19.834
90; 123.74; 90		2382Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108342 CIF
HKL		Br0.67 Cu0.67 O2 Pb0.33 Se0.67C m c m8.275; 9.303; 11.891
90; 90; 90		915.4Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108343 CIF
HKL		Br Cu2 O6 Pb0.5 Se2C 1 2/c 119.434; 8.542; 9.039
90; 100.684; 90		1474.5Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108344 CIF
HKL		Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5C 1 2/m 119.502; 5.2408; 16.469
90; 102.769; 90		1641.6Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108345 CIF
HKL		Br1.75 Cu2.5 O4 Pb0.5 SeC 1 2/m 119.049; 6.226; 12.726
90; 109.843; 90		1419.7Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108346 CIF
HKL		Br1.17 Cu1.92 O3 Pb0.25 Se0.75C 1 2/m 119.146; 6.2686; 17.296
90; 99.27; 90		2048.7Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108347 CIF
HKL		Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33C 1 2/m 138.0763; 6.2308; 11.1897
90; 94.955; 90		2644.8Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108348 CIF
HKL		Br22.16 Cu28 O64 Pb17.06 Se16C m m m23.943; 20.268; 6.313
90; 90; 90		3064Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
Acta Crystallographica Section B, 2018, 74, 712-724
2108349 CIF
HKL		C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6R -3 m :H7.1255; 7.1255; 66.2902
90; 90; 120		2914.81Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka
Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers
Acta Crystallographica Section B, 2018, 74, 492-501
2108350 CIF
HKL
Paper		F7 H12 N3 TiP a -311.78316; 11.78316; 11.78316
90; 90; 90		1636.01Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2108351 CIF
Paper		C4 H12 Al NP 1 21/c 17.40203; 12.96634; 7.28776
90; 90.6602; 90		699.41Bernert, Thomas; Ley, Morten Brix; Ruiz-Fuertes, Javier; Fischer, Michael; Felderhoff, Michael; Weidenthaler, Claudia
Title (type here to add)
Acta Crystallographica, Section B, 2016, 72, 232-240
2108352 CIF
HKL
Paper		Ca5 Cl0.9 F0.1 O12 P3P 63/m9.502; 9.502; 6.8356
90; 90; 120		534.5Christoph, Staehli; Thuering, Juerg; Galea, Laetitia; Tadier, Solene; Bohner, Marc; Doebelin, Nicola
Hydrogen-substituted beta-tricalcium phosphate synthesized in organic media
Acta Crystallographica, Section B, 2016, 72, 875-884
2108353 CIFC38 H42 N8 Se6P -19.797; 10.56; 10.656
87.528; 69.844; 87.528		1033.5Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc
Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs
Acta Crystallographica Section B, 2019, 75, 34-38
2108354 CIFC36 H34 N6 O2 Se6P -110.008; 10.4345; 10.76
93.538; 117.528; 95.282		985.3Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc
Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs
Acta Crystallographica Section B, 2019, 75, 34-38
2108355 CIFC36 H34 N8 O4 Se6P -110.187; 10.415; 11.232
75.891; 82.213; 61.753		1017.8Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc
Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs
Acta Crystallographica Section B, 2019, 75, 34-38
2108356 CIF
HKL		Al72 Au2.5 Ir29.5I 41/a c d8.6339; 8.6339; 21.8874
90; 90; 90		1631.58Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Fournée, Vincent; Ledieu, Julian
A new ternary compound with the BGa~8~Ir~4~ structure type in the Al‒Au‒Ir system
Acta Crystallographica Section B, 2019, 75, 49-52
2108357 CIFC6 H3 Cu F N4 O2P 21 21 216.6235; 9.4208; 12.5188
90; 90; 90		781.16Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108358 CIF
HKL		C26 H20 Cu3 F4 N10 O10P 1 21/n 110.441; 8.058; 19.542
90; 95.92; 90		1635.4Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108359 CIF
HKL		C28 H24 Cu3 F4 N10 O10P 1 21/n 110.3405; 8.6279; 19.594
90; 98.153; 90		1730.4Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108360 CIF
HKL		C38 H24 Cu5 F6 N18 O14P -17.2091; 12.3296; 13.5573
99.68; 101.459; 90.199		1163.4Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108361 CIF
HKL		C16 H22 N10 O10P -16.7486; 10.5419; 15.658
81.293; 79.732; 79.974		1071.02Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna M.
A proposal for coherent nomenclature of multicomponent crystals
Acta Crystallographica Section B, 2019, 75
2108362 CIF
HKL		C17 H10 N2P 1 21/c 14.064; 16.58; 17.57
90; 91.53; 90		1183Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108363 CIF
HKL		C17 H10 N2P c c n4.1239; 16.404; 17.252
90; 90; 90		1167.1Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108364 CIF
HKL		C17 H10 N2P c a 217.394; 10.953; 29.06
90; 90; 90		2353Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108365 CIF
HKL		C17 H10 N2P 1 21/a 18.2204; 10.898; 26.905
90; 98.691; 90		2382.6Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108366 CIF
HKL		C16 H9 N3P m n 2119.316; 3.7013; 7.7676
90; 90; 90		555.3Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108367 CIF
HKL		C16 H9 N3P 1 21/c 14.0049; 16.518; 17.179
90; 90.007; 90		1136.4Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108368 CIF
HKL		C16 H9 N3P c c n4.0741; 16.416; 17.23
90; 90; 90		1152.3Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108369 CIF
HKL		H4 N2 O3 WP 32 2 15.79842; 5.79842; 9.2341
90; 90; 120		268.871Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F.
Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping
Acta Crystallographica Section B, 2019, 75
2108370 CIF
HKL
Paper		C10 H17 N O6C 1 2 121.2256; 5.67647; 32.0621
90; 100.17; 90		3802.35Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108371 CIF
HKL		C10 H17 N O6C 1 2 121.2633; 5.67322; 32.053
90; 100.076; 90		3807Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108372 CIF
HKL		C10 H17 N O6C 1 2 121.33; 5.67423; 32.0776
90; 99.937; 90		3824.15Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108373 CIF
HKL		C10 H17 N O6C 1 2 121.3889; 5.67352; 32.0754
90; 99.818; 90		3835.4Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108374 CIF
HKL		C10 H17 N O6C 1 2 121.4563; 5.67251; 32.0779
90; 99.653; 90		3849Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108375 CIF
HKL		C10 H17 N O6C 1 2 121.5229; 5.6692; 32.0754
90; 99.486; 90		3860.2Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108376 CIF
HKL		C10 H17 N O6C 1 2 121.6021; 5.6701; 32.0856
90; 99.299; 90		3878.4Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108377 CIF
HKL		C10 H17 N O6C 1 2 121.6777; 5.665; 32.0878
90; 99.115; 90		3890.8Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108378 CIF
HKL		C10 H17 N O6C 1 2 121.7528; 5.6663; 32.0956
90; 98.955; 90		3907.8Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108379 CIF
HKL
Paper		Al84 Cu26 Li40 Mg12I m -313.8451; 13.8451; 13.8451
90; 90; 90		2653.92Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ehrenberg, Helmut
Li~20~Mg~6~Cu~13~Al~42~: a new ordered quaternary superstructure to the icosahedral <i>T</i>-Mg~32~(Zn,Al)~49~ phase with fullerene-like Al~60~ cluster
Acta Crystallographica Section B, 2019, 75
2108380 CIF
HKL		C14 H24 Cl N OP 1 21 17.1062; 11.5821; 17.3894
90; 94.9978; 90		1425.79Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.
Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride
Acta Crystallographica Section B, 2019, 75
2108381 CIF
HKL		C14 H24 Cl N OP 1 21 17.135; 11.6402; 17.4546
90; 94.7791; 90		1444.61Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.
Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride
Acta Crystallographica Section B, 2019, 75
2108382 CIF
HKL		C14 H24 Cl N OP 21 21 217.0653; 11.8351; 17.6593
90; 90; 90		1476.64Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.
Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride
Acta Crystallographica Section B, 2019, 75
2108383 CIF
HKL		C15 H12 O9.5C 1 2 123.2416; 5.2305; 25.4061
90; 102.634; 90		3013.7Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B.
Taxifolin tubes: crystal engineering and characteristics
Acta Crystallographica Section B, 2019, 75
2108384 CIF
Paper		C40 H50 N2 O12P 1 21/c 112.078; 30.555; 10.2038
90; 107.272; 90		3595.8Shishkina, Svitlana V.; Isaiev, Ivan A.; Urzhuntseva, Viktoriya V.; Palchykov, Vitalii A.
The formation of the salt and neutral molecule cocrystal from equimolar solution of heliamine and bicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,3-dicarboxylic acid
Acta Crystallographica Section B, 2019, 75
2108385 CIF
HKL		C26 H26 N4 O4C 1 2 123.479; 8.602; 16.899
90; 129.963; 90		2615.9Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108386 CIF
HKL		C30 H34 N4 O6C 1 2 122.9673; 8.8676; 16.7749
90; 118.613; 90		2999.2Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108387 CIF
HKL		C28 H29 N5 O4P 21 21 2111.77; 14.079; 16.502
90; 90; 90		2735Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108388 CIF
HKL		C26 H26 N4 O4P 65 2 213.854; 13.854; 27.167
90; 90; 120		4515.7Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108389 CIF
HKL		C12 H24 I2 O12 SrP 1 21 17.8592; 12.9355; 9.9504
90; 92.803; 90		1010.37Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo
Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties
Acta Crystallographica Section B, 2019, 75
2108390 CIF
HKL		C36 H86 I8 O43 Sr4P 21 21 2112.3717; 17.4352; 17.6607
90; 90; 90		3809.47Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo
Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties
Acta Crystallographica Section B, 2019, 75
2108391 CIF
HKL		C6 H18 I2 O9 SrP 21 21 219.1192; 13.0908; 13.5504
90; 90; 90		1617.61Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo
Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties
Acta Crystallographica Section B, 2019, 75
2108392 CIFGe TeP n m a7.369; 3.9249; 5.698
90; 90; 90		164.8Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen
New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment
Acta Crystallographica Section B, 2019, 75
2108393 CIF
HKL		C7 H11 F Ge3.84 N2 O24 Si8.16I m m a14.9725; 5.2733; 17.0318
90; 90; 90		1344.7Wang, Xiaoge; Shen, Yihan; Liu, Rongli; Liu, Xiaolong; Lin, Cong; Shi, Dier; Chen, Yanping; Liao, Fuhui; Lin, Jianhua; Sun, Junliang
Elucidation of correlated disorder in zeolite IM-18
Acta Crystallographica Section B, 2019, 75
2108394 CIF
HKL		C17 H10 OP -16.92715; 8.3336; 10.4706
109.898; 98.979; 100.773		542.32Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108395 CIF
HKL		C17 H10 OP -16.7049; 8.1989; 10.329
109.691; 99.378; 100.628		509.66Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108396 CIF
HKL		C17 H10 OP -16.695; 8.1846; 10.306
109.649; 99.384; 100.652		506.97Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108397 CIF
HKL		C17 H10 OP -16.6139; 8.1151; 10.272
109.439; 99.563; 100.637		495.3Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108398 CIF
HKL		C17 H10 OP -16.6007; 8.1331; 10.232
109.52; 99.88; 100.617		492.5Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108399 CIF
HKL		C17 H10 OP -16.477; 8.041; 10.205
109.37; 99.57; 100.71		477.6Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108400 CIF
HKL		C26 H12 N4 O2P 1 21/c 113.119; 4.777; 27.3921
90; 95.8533; 90		1707.7Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei
Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties
Acta Crystallographica Section B, 2019, 75
2108401 CIF
HKL		C26 H12 N4 O2P 1 21/c 116.971; 7.3707; 14.0809
90; 94.09; 90		1756.9Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei
Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties
Acta Crystallographica Section B, 2019, 75
2108402 CIF
HKL		C24 H22 Cl2 N2 O2I 1 2/a 118.1075; 14.16642; 18.5436
90; 117.163; 90		4232.16So, Hee-Soo; Matsumoto, Shinya
Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione
Acta Crystallographica Section B, 2019, 75
2108403 CIF
HKL		C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05		1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108404 CIF
HKL		C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05		1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108405 CIFC26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05		1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108406 CIF
HKL		C26 H19 P SP -110.227; 12.324; 17.353
101.55; 91.23; 112.04		1975Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108407 CIF
HKL		C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05		1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108408 CIF
HKL		C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05		1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108409 CIF
HKL		C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05		1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108410 CIF
HKL		C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90		2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108411 CIF
HKL		C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90		2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108412 CIF
HKL		C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90		2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108413 CIF
HKL		C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90		2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108414 CIF
HKL		C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90		2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108415 CIF
HKL		C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90		2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108416 CIF
HKL		C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90		2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108417 CIF
HKL		C6 H16 N2 O6P 1 21/c 110.1517; 11.96; 8.9955
90; 114.322; 90		995.25Gomathi, V.; Theivarasu, C.
Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts
Acta Crystallographica Section B, 2019, 75, 449-458
2108418 CIF
HKL		C10 H14 N2 O5P 1 21/n 18.3828; 23.9943; 17.2844
90; 98.635; 90		3437.2Gomathi, V.; Theivarasu, C.
Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts
Acta Crystallographica Section B, 2019, 75, 449-458
2108419 CIF
HKL		C10 H22 N4 O8P 1 21/n 15.1027; 16.024; 8.7273
90; 94.459; 90		711.43Gomathi, V.; Theivarasu, C.
Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts
Acta Crystallographica Section B, 2019, 75, 449-458
2108420 CIF
HKL		C18 H16 Cl2 Co N4P c a 2114.8764; 8.9742; 26.8271
90; 90; 90		3581.5Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108421 CIF
HKL		C18 H16 Co I2 N4C 1 2/c 17.5817; 18.625; 14.2346
90; 100.448; 90		1976.7Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108422 CIF
HKL		C18 H16 Co N6 O6P 1 21/c 19.4982; 14.9627; 14.5081
90; 107.938; 90		1961.6Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108423 CIF
HKL		C20 H16 Co N6 S2I 1 2/a 117.5108; 13.8088; 18.915
90; 114.745; 90		4153.7Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108424 CIF
HKL		C38 H37 Co I2 N9 OP n n 211.355; 12.68; 13.4516
90; 90; 90		1936.8Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108425 CIF
HKL		C38 H37 Co N11 O7P n n 211.3655; 12.5153; 13.6247
90; 90; 90		1938.01Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108426 CIF
HKL		C40 H40 Co N10 O2 S2P -18.6822; 9.457; 13.6578
103.023; 95.901; 107.217		1026.15Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108427 CIF
HKL		C20 H16 Co N6 S2C 1 2/c 124.4747; 5.5932; 14.8644
90; 94.172; 90		2029.4Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108428 CIFC149 N30 O78 S6P 21 21 2118.5453; 30.1766; 39.798
90; 90; 90		22272Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene
Revisiting the structure of a synthetic somatostatin analogue for peptide drug design
Acta Crystallographica Section B, 2019, 75
2108429 CIF
HKL		C5 H7 Cl4 N2 SbC 1 2/c 113.4747; 12.9393; 7.7611
90; 123.733; 90		1125.34Gagor, Anna
Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited
Acta Crystallographica Section B, 2018, 74, 217-225
2108430 CIF
HKL		C5 H7 Cl4 N2 SbC 1 2/c 113.3923; 12.815; 7.8256
90; 123.735; 90		1116.9Gagor, Anna
Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited
Acta Crystallographica Section B, 2018, 74, 217-225
2108431 CIF
HKL		C5 H7 Cl4 N2 SbC 1 c 113.33; 12.69; 7.87
90; 123.8; 90		1106Gagor, Anna
Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited
Acta Crystallographica Section B, 2018, 74, 217-225
2108432 CIF
HKL		C5 H7 Cl4 N2 SbC 1 c 113.3; 12.66; 7.89
90; 123.8; 90		1104Gagor, Anna
Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited
Acta Crystallographica Section B, 2018, 74, 217-225
2108433 CIF
HKL		C5 H7 Cl4 N2 SbP 1 21/n 113.208; 12.526; 7.9251
90; 123.914; 90		1088.1Gagor, Anna
Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited
Acta Crystallographica Section B, 2018, 74, 217-225
2108434 CIF
HKL		C2 H6 N4 SP -16.9149; 7.0012; 12.3713
90.881; 104.312; 101.783		566.74Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75
2108435 CIF
HKL		C10 H16 N18 SP -19.8299; 9.8507; 10.2105
64.634; 78.716; 87.703		875.04Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75
2108436 CIF
HKL		C6 H9.67 N11P 1 21/c 13.534; 28.13; 10.698
90; 97.025; 90		1055.5Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75
2108437 CIF
HKL		C6 H8 N10P 1 21/c 16.032; 7.796; 10.531
90; 105.9; 90		476.28Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75
2108438 CIF
HKL		C7 H15 N13 O SP -111.1348; 12.1287; 13.1868
63.474; 71.339; 63.549		1410.2Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75
2108439 CIF
Paper		Mn13 Na3.98 O26C 1 2/m 122.5199; 2.83987; 14.8815
90; 105.092; 90		918.9Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel
(Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction.
Acta Crystallographica, Section B, 2016, 72, 893-903
2108440 CIF
Paper		Mn13 Na3.94 O26C 1 2/m 122.6338; 2.8255; 14.9075
90; 104.599; 90		922.58Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel
(Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction.
Acta Crystallographica, Section B, 2016, 72, 893-903
2108441 CIF
HKL
Paper		C31 H26 Cl2 N4 O4P 1 21/c 17.47882; 26.0041; 14.78241
90; 102.507; 90		2806.66Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108442 CIF
HKL
Paper		C31 H28 Cl2 N4 O4P -110.6376; 12.2781; 12.7975
90.079; 113.211; 108.284		1443.58Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108443 CIF
HKL
Paper		C36.79 H31.18 Cl2 N6.39 O3 SP -17.997; 13.5824; 16.6638
80.214; 80.034; 83.036		1748.86Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108444 CIF
HKL
Paper		C34 H27 Cl2 N5 O3 SP -18.2115; 13.5327; 14.325
89.04; 88.864; 83.781		1582Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108445 CIF
HKL
Paper		C35 H32 Cl2 N4 O5P -19.4861; 12.5322; 15.3641
98.415; 103.379; 110.45		1612.41Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108446 CIF
HKL
Paper		C35 H28 Cl2 N4 O4P -111.799; 12.0736; 14.6803
72.472; 80.688; 72.03		1891.44Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108447 CIF
HKL
Paper		C35 H28 Cl2 N4 O4P -110.4028; 10.8454; 15.4229
71.183; 73.984; 76.148		1561.33Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108448 CIF
HKL		C24 H16P 1 21/n 19.8367; 17.1456; 9.8764
90; 93.73; 90		1662.19Williams, Alice E.; Thompson, Amber L.; Watkin, David J.
The role of multiple observations in small-molecule single-crystal service X-ray structure determination
Acta Crystallographica Section B, 2019, 75
2108449 CIF
HKL
Paper		B9 Ba6 Lu5 O27C 1 2/c 113.0927; 9.997; 20.4884
90; 106.827; 90		2566.86Filatov, Stanislav K.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Shablinskii, Andrey P.
The novel borate Lu~5~Ba~6~B~9~O~27~ with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion
Acta Crystallographica Section B, 2019, 75
2108450 CIFO2 ZrP 1 21/c 15.1473; 5.20878; 5.31657
90; 99.2056; 90		140.708Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108451 CIFO2 ZrP 1 21/c 15.14204; 5.20869; 5.30989
90; 99.1726; 90		140.398Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108452 CIFO2 ZrP 1 21/c 15.12418; 5.20803; 5.28293
90; 99.048; 90		139.231Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108453 CIFO2 ZrP 1 21/c 15.10541; 5.20827; 5.25387
90; 98.868; 90		138.032Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108454 CIFO2 ZrP 1 21/c 15.09098; 5.2093; 5.23197
90; 98.706; 90		137.155Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108455 CIFO2 ZrP 1 21/c 15.07006; 5.2095; 5.1975
90; 98.441; 90		135.792Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108456 CIFO2 ZrP 1 21/c 15.059; 5.2097; 5.1763
90; 98.276; 90		135.005Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108457 CIF
HKL		As2 Hg Pb S5P n m a21.246; 4.2897; 9.5257
90; 90; 90		868.2Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.
Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula
Acta Crystallographica Section B, 2019, 75
2108458 CIF
HKL		As2 Hg Pb S5P n m a21.246; 4.2897; 9.5257
90; 90; 90		868.2Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.
Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula
Acta Crystallographica Section B, 2019, 75
2108459 CIF
HKL		C9 H9 N O3P 21 21 218.6793; 9.0674; 10.6085
90; 90; 90		834.87Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood
Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin
Acta Crystallographica Section B, 2019, 75
2108460 CIF
HKL		C9 H9 N O3P 21 21 218.6793; 9.0674; 10.6085
90; 90; 90		834.87Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood
Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin
Acta Crystallographica Section B, 2019, 75
2108461 CIF
HKL		C9 H9 N O3P 21 21 218.6793; 9.0674; 10.6085
90; 90; 90		834.87Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood
Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin
Acta Crystallographica Section B, 2019, 75
2108462 CIF
HKL		C8 H9 N O3P 1 21/c 16.3704; 16.6534; 7.5759
90; 93.9516; 90		801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108463 CIF
HKL		C8 H9 N O3P 1 21/c 16.3704; 16.6534; 7.5759
90; 93.9516; 90		801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108464 CIF
HKL		C8 H9 N O3P 1 21/c 16.3704; 16.6534; 7.5759
90; 93.9516; 90		801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108465 CIF
HKL		C8 H9 N O3P -17.3634; 17.5614; 19.3782
68.688; 83.981; 87.9		2321.6Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108466 CIFC8 H9 N O3P 1 21/a 114.3673; 16.6534; 6.3704
90; 148.261; 90		801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108467 CIFC8 H9 N O3P 1 21/a 114.3673; 16.6534; 6.3704
90; 148.261; 90		801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108468 CIFC8 H9 N O3P 1 21/a 114.3673; 16.6534; 6.3704
90; 148.261; 90		801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108469 CIFC8 H9 N O3P -142.55; 21.687; 19.9952
130.368; 170.4; 48.973		2321Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108470 CIF
HKL		C15 H12 N2 OP 1 21/n 17.534; 11.15; 13.917
90; 92.94; 90		1167.55Kolb, Ute; Krysiak, Yaşar; Plana-Ruiz, Sergi
Automated electron diffraction tomography ‒ development and applications
Acta Crystallographica Section B, 2019, 75, 463-474
2108471 CIF
HKL		C22 H24 N2 O7 SP 1 21 18.71353; 29.496; 17.6717
90; 97.937; 90		4498.37Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108472 CIF
HKL		C25 H28 N2 O8.5 SP 41 21 212.89179; 12.89179; 29.5087
90; 90; 90		4904.29Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108473 CIF
HKL		C25 H27 N3 O7.5 SP 41 21 212.81222; 12.81222; 29.7274
90; 90; 90		4879.84Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108474 CIF
HKL		C23.5 H25 N3 O7.5 SP 41 21 212.85808; 12.85808; 29.5715
90; 90; 90		4889.06Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108475 CIF
HKL		C25 H28 N2 O8.5 SP 41 21 212.88747; 12.88747; 29.5246
90; 90; 90		4903.65Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108476 CIFC16 H10 N2P n a 2124.316; 3.9011; 25.297
90; 90; 90		2399.7Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti
Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions
Acta Crystallographica Section B, 2019, 75
2108477 CIFC18 H15 N O2P -17.7437; 12.8797; 16.2007
108.298; 102.962; 94.992		1473.21Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti
Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions
Acta Crystallographica Section B, 2019, 75
2108478 CIFC19 H16 O4P b c a9.221; 9.847; 34.947
90; 90; 90		3173.2Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti
Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions
Acta Crystallographica Section B, 2019, 75
2108479 CIF
HKL		C26 H20 Cl N3 OP -110.5741; 13.5798; 16.6564
107.731; 98.269; 106.98		2106.51Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng
Solvatochromism and mechanochromism observed in a triphenylamine derivative
Acta Crystallographica Section B, 2019, 75
2108480 CIF
HKL		C26 H20 Cl N3 OP 1 21/c 115.6975; 23.7324; 12.0002
90; 102.451; 90		4365.4Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng
Solvatochromism and mechanochromism observed in a triphenylamine derivative
Acta Crystallographica Section B, 2019, 75
2108481 CIF
HKL		C26 H20 Eu N3 O7 SP 1 21/c 113.9849; 13.1957; 15.1425
90; 109.763; 90		2629.8Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108482 CIF
HKL		C67 H58 Er4 N6 O30 S2C 1 2/c 139.336; 8.638; 25.594
90; 124.837; 90		7137.9Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108483 CIF
HKL		C67 H58 N6 O30 S2 Yb4C 1 2/c 139.474; 8.6567; 25.67
90; 124.895; 90		7195Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108484 CIF
HKL		C58 H36 N6 O15 S2 Tb2P 1 21/c 111.0175; 16.994; 14.608
90; 106.227; 90		2626.1Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108485 CIF
HKL		C58 H36 N6 O15 S2 Yb2P 1 21/c 111.0067; 16.9842; 14.5971
90; 106.203; 90		2620.4Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108486 CIF
HKL		C29 H18 Eu N3 O7 SP 1 21/n 19.1596; 13.4942; 20.727
90; 98.039; 90		2536.7Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108487 CIF
HKL		C29 H18 N3 O7 S TbP 1 21/n 19.119; 13.463; 20.674
90; 97.756; 90		2514.9Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108488 CIF
HKL		C12 H14 N2 O5P -17.1402; 7.5689; 11.9955
98.844; 102.693; 100.077		610.09Zong, Shuyi; Wang, Jingkang; Wu, Hao; Liu, Qi; Hao, Yunhui; Huang, Xin; Wu, Dehui; Zhou, Guanchen; Hao, Hongxun
Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of <i>p</i>-nitrobenzoic acid
Acta Crystallographica Section B, 2019, 75
2108489 CIF
HKL
Paper		Ca Cu6 O18 P4 Rb2C 1 2 116.8913; 5.6406; 8.3591
90; 93.919; 90		794.57Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N.
Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates
Acta Crystallographica Section B, 2019, 75
2108490 CIF
HKL		C16 H12 N2 O2P -14.8281; 8.5805; 15.436
96.79; 95.002; 91.404		632.18Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108491 CIF
HKL		C17 H14 N2 O2P -14.8956; 9.6425; 14.958
103.662; 94.58; 98.382		673.98Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108492 CIF
HKL		C16 H11 F N2 O2P -14.6371; 8.957; 15.788
99.88; 96.61; 93.21		639.8Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108493 CIF
HKL		C16 H11 F N2 O2P 1 21/c 14.6995; 30.579; 8.853
90; 92.7; 90		1270.8Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108494 CIF
HKL		C16 H11 Cl N2 O2P 1 21/c 14.3746; 30.823; 9.855
90; 93.225; 90		1326.7Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108495 CIF
HKL		C16 H11 Br N2 O2P 1 21/c 14.1661; 31.0277; 10.4434
90; 92.933; 90		1348.19Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108496 CIF
HKL		C16 H11 Br N2 O2P 1 21/c 16.9397; 10.2611; 20.7644
90; 96.919; 90		1467.84Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108497 CIF
HKL		C16 H11 I N2 O2P 1 21/c 16.9395; 10.2583; 20.7605
90; 96.931; 90		1467.09Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108498 CIF
HKL		C17 H14 N2 O3P 1 21/c 16.9921; 10.1424; 20.862
90; 99.57; 90		1458.9Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108499 CIF
HKL
Paper		C16 H22 Cl3 N3 O2C 1 2/c 123.0502; 6.7836; 25.4596
90; 114.262; 90		3629.33Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions
Acta Crystallographica Section B, 2019, 75
2108500 CIF
HKL
Paper		C16 H24 Cl3 N3 O3P 1 21/c 14.649; 47.213; 8.9051
90; 96.222; 90		1943.1Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions
Acta Crystallographica Section B, 2019, 75
2108501 CIF
HKL
Paper		C16 H22 Cl3 N3 O2P 1 21/c 14.722; 45.671; 8.798
90; 97.66; 90		1880Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions
Acta Crystallographica Section B, 2019, 75
2108502 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5177; 9.5177; 7.538
90; 90; 120		591.36Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108503 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5245; 9.5245; 7.5481
90; 90; 120		592.997Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108504 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5291; 9.5291; 7.5601
90; 90; 120		594.514Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108505 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5301; 9.5301; 7.5615
90; 90; 120		594.749Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108506 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5351; 9.5351; 7.5633
90; 90; 120		595.515Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108507 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5349; 9.5349; 7.5641
90; 90; 120		595.553Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108508 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5359; 9.5359; 7.5659
90; 90; 120		595.82Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108509 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5364; 9.5364; 7.5677
90; 90; 120		596.02Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108510 CIF
HKL		B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5394; 9.5394; 7.5693
90; 90; 120		596.525Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108511 CIF
HKL		C6 H9 N3 O3P 1 21/c 16.8785; 8.6396; 12.8573
90; 94.351; 90		761.875Kalaiarasi, Chinnasamy; Christy, George; Gonnade, Rajesh G.; Hathwar, Venkatesha R.; Kumaradhas, Poomani
Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole
Acta Crystallographica Section B, 2019, 75
2108512 CIF
HKL		C21 H23 N O4P 21 21 217.2015; 12.2326; 21.3487
90; 90; 90		1880.67Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan
Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship
Acta Crystallographica Section B, 2019, 75
2108513 CIF
HKL		C21 H23 N O4P 1 21 17.333; 29.3095; 8.8046
90; 94.748; 90		1885.85Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan
Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship
Acta Crystallographica Section B, 2019, 75
2108514 CIF
HKL		C18 H12 N6I 1 2/a 121.3047; 3.7345; 35.1825
90; 93.364; 90		2794.4Yuan, Liangqian; Xing, Mengyao; Pan, Fangfang
Polymorphs of 2,4,6-tris(4-pyridyl)-1,3,5-triazine and their mechanical properties
Acta Crystallographica Section B, 2019, 75
2108515 CIF
HKL
Paper		C7 H9 Br N2 O2P 1 21/m 18.5689; 6.4113; 8.8248
90; 110.2; 90		455Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108516 CIF
HKL		C7 H9 I N2 O2P -16.5954; 8.7764; 8.8564
72.14; 84.002; 81.83		481.98Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108517 CIF
HKL		C7 H9 N3 O5P 1 21/m 18.1234; 6.6252; 8.5799
90; 98.712; 90		456.44Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108518 CIF
HKL		C7 H9 Cl N2 O2P -17.9756; 7.9803; 28.2986
84.468; 84.229; 89.897		1783.61Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108519 CIF
HKL		C7 H10 N2 O6 SP n a 2112.8927; 4.97471; 31.5518
90; 90; 90		2023.65Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108520 CIF
HKL		C7 H10 I3 N2 O2.5P 1 21/c 111.2876; 13.9536; 17.5279
90; 96.808; 90		2741.23Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108521 CIF
HKL		Cu6 H16 O21 S2 ZnP 38.1905; 8.1905; 7.099
90; 90; 120		412.43Elliott, Peter
Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure
Acta Crystallographica Section B, 2019, 75
2108522 CIF
HKL
Paper		C24 H40 Cl N5 O7 SP 1 21/c 116.638; 12.0355; 15.4979
90; 107.668; 90		2957.02Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108523 CIF
HKL		C23 H37 Cl N4 O6 S2P -18.0881; 11.276; 16.2993
98.21; 95.377; 101.106		1432.44Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108524 CIF
HKL		C23 H37 Cl N4 O6 S2P -110.4385; 10.7052; 14.2725
90.444; 95.087; 113.92		1450.5Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108525 CIF
HKL		C23 H39 Cl N4 O7 S2P 1 21/c 116.508; 11.873; 15.442
90; 103.917; 90		2937.8Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108526 CIF
HKL		C50 H82 Cl2 N8 O14 S4P -111.55; 15.6355; 18.5836
93.782; 99.353; 105.965		3161.9Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108527 CIF
HKL		C40 H36 N2 S5 Si2P -110.0612; 14.6933; 14.3275
72.2555; 71.6334; 87.9619		1910.25Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A.
Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment
Acta Crystallographica Section B, 2019, 75
2108528 CIF
HKL		C40 H36 N2 S5 Si2P -19.805; 14.4191; 14.4368
72.3867; 72.9136; 87.8897		1856.5Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A.
Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment
Acta Crystallographica Section B, 2019, 75
2108529 CIF
HKL
Paper		C39 H31.4 Cu2 N5 O12.7 S2P 1 21/n 111.1292; 18.8549; 19.3898
90; 99.51; 90		4012.8Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru
Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions
Acta Crystallographica Section B, 2019, 75
2108530 CIF
HKL		C38 H37 Cu2 N5 O14 S2P 1 21/c 111.123; 23.956; 16.026
90; 107.374; 90		4075Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru
Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions
Acta Crystallographica Section B, 2019, 75
2108539 CIF
HKL		Al9.12 Ca5.98 Fe30.7 Mg5.34 O72 Si0.86P -110.3279; 10.434; 14.3794
93.4888; 107.321; 109.663		1370.49Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue
Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone
Acta Crystallographica Section B, 2019, 75
2108540 CIFAl18.241 Ca11.96 Fe61.4 Mg10.68 O144 Si1.72P 1 21/n 110.3277; 27.0134; 10.4344
90; 109.668; 90		2741.22Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue
Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone
Acta Crystallographica Section B, 2019, 75
2108541 CIF
HKL		F7 H12 N5 O Ru SiP 1 n 16.7036; 7.426; 10.1296
90; 107.469; 90		481Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik
Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes
Acta Crystallographica Section B, 2019, 75
2108542 CIF
HKL		F6 H12 N3 O TaF m -3 m9.331; 9.331; 9.331
90; 90; 90		812.427Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108543 CIF
HKL		F7.66 H12 N3 O0.17 TaR -3 m :H8.5414; 8.5414; 41.4381
90; 90; 120		2618.11Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108544 CIF
HKL		F7.5 H11 N2.75 O0.125 TaP n m a11.5018; 8.5736; 33.4597
90; 90; 90		3299.52Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108545 CIF
HKL		F7.5 H11 N2.75 O0.125 TaP 1 21/c 135.0618; 8.5377; 22.7987
90; 108.991; 90		6453.3Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108546 CIF
HKL		F7 H8 N2 TaP 4/n m m :25.8613; 5.8613; 10.5817
90; 90; 90		363.53Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.
Fluxional seven-coordinated fluorido- and oxofluoridotantalates
Acta Crystallographica Section B, 2019, 75
2108547 CIF
HKL		F7 Rb2 TaC m m a8.2419; 8.2749; 10.5694
90; 90; 90		720.84Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.
Fluxional seven-coordinated fluorido- and oxofluoridotantalates
Acta Crystallographica Section B, 2019, 75
2108548 CIF
HKL		F7 Rb2 TaP 4/n m m :25.9118; 5.9118; 10.6173
90; 90; 90		371.07Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.
Fluxional seven-coordinated fluorido- and oxofluoridotantalates
Acta Crystallographica Section B, 2019, 75
2108549 CIF
HKL		F6 O Rb3 TaF m -3 m9.1842; 9.1842; 9.1842
90; 90; 90		774.68Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.
Fluxional seven-coordinated fluorido- and oxofluoridotantalates
Acta Crystallographica Section B, 2019, 75
2108550 CIF
HKL		C5 H15 Fe N2 O12 S2C 1 2/c 112.1601; 17.2511; 6.7758
90; 100.715; 90		1396.61Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam
The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~]
Acta Crystallographica Section B, 2019, 75
2108551 CIF
HKL		C5 H15 Fe N2 O12 S2C 1 2/c 112.175; 17.217; 6.769
90; 100.87; 90		1393.4Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam
The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~]
Acta Crystallographica Section B, 2019, 75
2108552 CIF
HKL		C5 H15 Fe N2 O12 S2P -110.516; 11.873; 13.099
65.34; 77.51; 68.73		1381Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam
The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~]
Acta Crystallographica Section B, 2019, 75
2108553 CIF
HKL
Paper		B Cs H2 O8 P2I 1 2/a 113.4002; 7.4869; 14.5329
90; 90.059; 90		1458.03Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander
Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties
Acta Crystallographica Section B, 2019, 75
2108554 CIF
HKL		B Cs0.51 H4.9 Mn1.17 O10.45 P2P 61 2 29.6292; 9.6292; 15.8051
90; 90; 120		1269.14Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander
Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties
Acta Crystallographica Section B, 2019, 75
2108555 CIF
HKL		B Cs H Mn O9 P2P 1 21/c 19.1494; 8.6991; 9.6413
90; 100.141; 90		755.38Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander
Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties
Acta Crystallographica Section B, 2019, 75
2108556 CIF
HKL		C64 H60 N6 O6P -18.0448; 9.9408; 17.371
104.203; 90.628; 91.751		1345.9Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Acta Crystallographica Section B, 2019, 75
2108557 CIF
HKL		C38 H32 N4 O3P 1 21/c 18.9669; 36.365; 9.6042
90; 94.898; 90		3120.3Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Acta Crystallographica Section B, 2019, 75
2108558 CIF
HKL		C38 H32 N4 O3P -19.718; 12.072; 15.426
72.697; 72.681; 67.465		1560.9Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Acta Crystallographica Section B, 2019, 75
2108559 CIF
HKL		C26 H22 N2 O3P 1 21/c 124.4184; 6.5303; 12.7495
90; 90.172; 90		2033Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Acta Crystallographica Section B, 2019, 75
2108560 CIF
HKL		C67 H60 N6 O7P -112.215; 15.89; 17.769
114.901; 92.443; 111.284		2835.9Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Acta Crystallographica Section B, 2019, 75
2108561 CIF
HKL		C33 H31 N3 O4P -111.765; 11.892; 12.314
95.213; 111.706; 114.134		1400Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Acta Crystallographica Section B, 2019, 75
2108562 CIF
HKL		C34 H28 N8 O3C 1 2/c 117.606; 7.969; 42.568
90; 97.006; 90		5928Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Acta Crystallographica Section B, 2019, 75
2108563 CIF
HKL
Paper		C18 H14 Cl2 N2 OP 1 21/c 111.351; 16.259; 9.589
90; 107.41; 90		1688.6Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime
Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity
Acta Crystallographica Section B, 2019, 75
2108564 CIF
HKL		C18 H14 F2 N2 OP b c a11.984; 9.537; 26.808
90; 90; 90		3063.9Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime
Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity
Acta Crystallographica Section B, 2019, 75
2108565 CIF
HKL		C18 H12 Cl4 N2 OP -14.4932; 10.9707; 18.786
76.483; 83.305; 78.976		881.25Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime
Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity
Acta Crystallographica Section B, 2019, 75
2108566 CIF
HKL		C7 H7.75 N Na O4.875 SP 1 21/n 118.6212; 28.4622; 29.1642
90; 93.4511; 90		15429Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander
On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace
Acta Crystallographica Section B, 2020, 76
2108567 CIF
HKL		C7 H4 N Na O4.875 SC 1 2/n 118.6212; 7.11555; 29.1642
90; 93.4511; 90		3857.25Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander
On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace
Acta Crystallographica Section B, 2020, 76
2108568 CIF
HKL		C11 H9 N O SP 1 21/c 115.0288; 5.3086; 24.444
90; 99.133; 90		1925.47Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R.
The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone
Acta Crystallographica Section B, 2020, 76
2108569 CIF
HKL
Paper		Cd41 Ir8R -3 :H14.896; 14.896; 16.0338
90; 90; 120		3081.1Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108570 CIF
HKL
Paper		Cd86.45 Cu7.147 Ir7.318F -4 3 m19.9445; 19.9445; 19.9445
90; 90; 90		7933.6Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108571 CIF
HKL
Paper		Cd86.366 Cu7.584 Ir6.698F -4 3 m19.922; 19.922; 19.922
90; 90; 90		7907Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108572 CIF
HKL
Paper		Cd81.199 Cu15.659 Ir5.873F -4 3 m19.785; 19.785; 19.785
90; 90; 90		7744.8Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108573 CIF
HKL
Paper		Cd81.64 Cu15.796 Ir5.306F -4 3 m19.8332; 19.8332; 19.8332
90; 90; 90		7801.5Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108574 CIF
HKL
Paper		Cd80.144 Cu17.218 Ir5.638F -4 3 m19.7041; 19.7041; 19.7041
90; 90; 90		7650.1Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108575 CIF
HKL		C9 H11 N O2P 1 21/c 18.1928; 5.4539; 20.07
90; 91.47; 90		896Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108576 CIF
HKL		C9 H11 N O2P 1 21/c 18.24; 5.4015; 19.519
90; 91.55; 90		868Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108577 CIF
HKL		C9 H11 N O2P 1 21/c 16.305; 5.1839; 24.94
90; 96.25; 90		810Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108578 CIF
HKL		C9 H11 N O2P 1 21/c 16.3679; 5.1671; 24.58
90; 96.25; 90		804Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108579 CIF
HKL		C9 H11 N O2P 1 21/c 16.341; 5.1594; 24.52
90; 96.05; 90		798Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108580 CIF
HKL		C9 H11 N O2P 1 21/c 18.171; 5.3995; 19.515
90; 92; 90		860.5Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108581 CIF
HKL		C9 H11 N O2P 1 21/c 16.3608; 5.183; 24.75
90; 96.66; 90		810.5Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108582 CIF
HKL		C9 H11 N O2P 1 21/c 16.3399; 5.1789; 24.8
90; 96.58; 90		809Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał
A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)
Acta Crystallographica Section B, 2020, 76
2108583 CIF
HKL
Paper		C30 H44 N30 O32 V10P -111.3756; 11.5611; 14.0894
73.533; 67.176; 60.845		1481.18Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan
Crystal engineering of an adenine‒decavanadate molecular device towards label-free chemical sensing and biological screening
Acta Crystallographica Section B, 2020, 76
2108584 CIF
HKL		C8 H7 N O3P 1 21/c 18.7958; 7.5909; 10.8134
90; 104.722; 90		698.29Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108585 CIF
HKL		C10 H11 N O3P 1 21/c 18.74; 10.989; 9.736
90; 90.75; 90		935Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108586 CIF
HKL		C10 H11 N O3P -17.8898; 8.5729; 14.2922
88.333; 89.646; 73.099		924.56Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108587 CIF
HKL		C9 H9 N O4P 1 21/n 111.6065; 7.3059; 20.0511
90; 99.977; 90		1674.54Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof
Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
Acta Crystallographica Section B, 2020, 76
2108588 CIF
HKL		C24 H14 Cu N6 O12P 1 21/c 111.2998; 25.77; 9.3086
90; 111.894; 90		2515.1Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.
Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes
Acta Crystallographica Section B, 2020, 76
2108589 CIF
HKL		C52 H28 Cu2 N12 O24P 1 21/c 111.285; 26.65; 9.4293
90; 111.31; 90		2641.9Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.
Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes
Acta Crystallographica Section B, 2020, 76
2108590 CIF
HKL
Paper		C25 H44 Cl N O10P 21 21 2116.3296; 16.3759; 31.1186
90; 90; 90		8321.5Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng
Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form
Acta Crystallographica Section B, 2020, 76
2108591 CIF
HKL		C28 H50 Cu N6 O7P -110.946; 12.502; 13.029
70.34; 79.99; 73.06		1600.5Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun
Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand
Acta Crystallographica Section B, 2020, 76
2108592 CIF
HKL		C30 H52 Cu N6 O6P b c n11.386; 14.063; 21.427
90; 90; 90		3430.9Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun
Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand
Acta Crystallographica Section B, 2020, 76
2108593 CIF
HKL		C60 H80 O46P -110.2989; 14.3586; 14.5679
115.521; 103.49; 100.116		1794.4Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.
Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties
Acta Crystallographica Section B, 2020, 76
2108594 CIF
HKL		C30 H40 O20P -17.5073; 8.0208; 14.723
77.133; 79.494; 84.408		848.29Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.
Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties
Acta Crystallographica Section B, 2020, 76
2108595 CIF
HKL
Paper		C34 H44 Mg N6 O10 S2P 1 21/c 117.475; 8.051; 14.19
90; 109.91; 90		1877.1Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M.
The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate
Acta Crystallographica Section B, 2020, 76
2108596 CIFC10 H8 N4 O5P 1 21/c 111.67; 11.4666; 8.494
90; 106.848; 90		1087.8Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta
Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography
Acta Crystallographica Section B, 2020, 76
2108597 CIF
HKL		C20 H16 N8 O10P -122.183; 12.546; 5.3092
51.074; 92.16; 97.31		1138.5Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta
Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography
Acta Crystallographica Section B, 2020, 76
2108598 CIF
HKL		C21 H14 N2 O2P -13.82563; 6.50848; 15.2148
89.522; 91.9447; 101.226		371.37Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U.
Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations
Acta Crystallographica Section B, 2020, 76
2108599 CIFC24 H22 F4 Si2P 1 21/c 16.7352; 14.8514; 23.3648
90; 94.735; 90		2329.1Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B, 2020, 76
2108600 CIF
HKL
Paper		C24 H22 F4 Si2P 1 21/c 16.905; 14.948; 23.66
90; 94.82; 90		2433.5Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B, 2020, 76
2108601 CIF
HKL		C36 H50 Si2P -18.602; 10.085; 11.209
115.07; 102.61; 98.82		825.6Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B, 2020, 76
2108602 CIF
HKL
Paper		C21 H20 Cl N2 O3 ReP 1 21/c 17.2923; 23.44; 12.75
90; 106.337; 90		2091.4Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108603 CIF
HKL		C23 H24.4 Cl N2 O3 ReP 1 21/c 18.2294; 36.355; 8.1035
90; 105.614; 90		2334.9Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108604 CIF
HKL		C25 H28 Cl N2 O3 ReP 1 21/c 19.998; 30.878; 8.209
90; 98.497; 90		2506.5Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108605 CIF
HKL		C29 H36 Cl N2 O3 ReP n m a13.0248; 21.7653; 10.421
90; 90; 90		2954.2Kia, Reza; Kalaghchi, Azadeh
Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
Acta Crystallographica Section B, 2020, 76
2108606 CIF
HKL		C52 H32 N8 O8 S2 Zn2P 1 21/c 17.8461; 20.359; 29.189
90; 94.612; 90		4647.5Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang
A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks
Acta Crystallographica Section B, 2020, 76
2108607 CIF
HKL		C36 H58 O4P 1 21/c 122.486; 8.8585; 8.3874
90; 96.221; 90		1660.9Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108608 CIF
HKL		C28 H38 O6P -18.554; 8.6844; 9.81
100.26; 109.1; 100.53		654.5Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108609 CIF
HKL		C18 H18 O6P 1 21 111.304; 10.064; 14.496
90; 107.822; 90		1570Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108610 CIF
HKL		C16 H18 O4P 1 21/c 113.1; 7.6709; 15.2881
90; 110.181; 90		1441.97Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Acta Crystallographica Section B, 2020, 76
2108611 CIFC9 H13 N O2 S2P 1 21/n 19.8106; 10.5345; 10.4312
90; 91.787; 90		1077.54Vénosová, Barbora; Koziskova, Julia; Kožíšek, Jozef; Herich, Peter; Lušpai, Karol; Petricek, Vaclav; Hartung, Jens; Müller, Mike; Hübschle, Christian B.; van Smaalen, Sander; Bucinsky, Lukas
Charge density of 4-methyl-3-[(tetrahydro-2<i>H</i>-pyran-2-yl)oxy]thiazole-2(3<i>H</i>)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study
Acta Crystallographica Section B, 2020, 76
2108612 CIF
HKL		Mo O6 Pr2I -4 c 25.696; 5.696; 31.6796
90; 90; 90		1027.83Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.
Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg
Acta Crystallographica Section B, 2020, 76
2108613 CIF
HKL		Mg0.026 Mo0.974 O5.94 Pr2I -4 c 25.6979; 5.6979; 31.7012
90; 90; 90		1029.21Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.
Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg
Acta Crystallographica Section B, 2020, 76
2108614 CIF
HKL		Al Cu K O8 P2P 1 21/c 15.027; 14.047; 9.263
90; 102.29; 90		639.11Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga
Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure
Acta Crystallographica Section B, 2020, 76
2108615 CIF
HKL		Al3 K2 O16 P3 Si ZnC 1 2/c 113.234; 13.121; 8.6581
90; 100.14; 90		1479.9Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga
Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure
Acta Crystallographica Section B, 2020, 76
2108616 CIF
HKL		Ca2 H14 O23 P2 U3P b c a17.3785; 15.9864; 13.5477
90; 90; 90		3763.8Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon
Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations
Acta Crystallographica Section B, 2020, 76
2108617 CIF
HKL		Ga105.3 Mg69.48 Ni48F d -3 m :219.8621; 19.8621; 19.8621
90; 90; 90		7835.7Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut
New cubic cluster phases in the Mg‒Ni‒Ga system
Acta Crystallographica Section B, 2020, 76
2108618 CIF
HKL		Ga8 Mg24 Ni16F d -3 m :211.4886; 11.4886; 11.4886
90; 90; 90		1516.4Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut
New cubic cluster phases in the Mg‒Ni‒Ga system
Acta Crystallographica Section B, 2020, 76
2108619 CIF
HKL		C13 H22 N2 O5P 1 21/c 19.8441; 10.8561; 13.5205
90; 96.728; 90		1435Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie
Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer
Acta Crystallographica Section B, 2020, 76
2108620 CIF
HKL		C13 H20 N2 O4P -18.2881; 9.5302; 10.6708
113.46; 105.99; 99.162		707.87Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie
Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer
Acta Crystallographica Section B, 2020, 76
2108621 CIF
HKL		C26 H31.34 N6 Ni2 O16.67P -110.1294; 12.2011; 14.243
82.035; 74.232; 79.373		1657.7Chahkandi, Mohammad; Keivanloo Shahrestanaki, Abolfazl; Mirzaei, Masoud; Nawaz Tahir, Muhammad; Mague, Joel T.
Crystal and molecular structure of [Ni{2-H~2~NC(=O)C~5~H~4~N}~2~(H~2~O)~2~][Ni{2,6-(O~2~C)~2~C~5~H~3~N}~2~]·4.67H~2~O; DFT studies on hydrogen bonding energies in the crystal
Acta Crystallographica Section B, 2020, 76
2108622 CIFC3 H18 F9 Gd O18 S3P 63/m13.7828; 13.7828; 7.3148
90; 90; 120		1203.39Janicki, Rafał; Starynowicz, Przemysław
Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate ‒ insight into Gd^III^—OH~2~ bonding
Acta Crystallographica Section B, 2020, 76
2108623 CIF
HKL		C23 H16 Ag2 N3 S16P -115.0062; 8.582; 13.3243
89.984; 91.447; 90.002		1715.4Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul
New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid
Acta Crystallographica Section B, 2020, 76
2108624 CIF
HKL		C23 H16 Ag2 N3 S16P -115.0831; 8.6447; 13.4755
90.012; 91.364; 89.998		1756.56Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul
New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid
Acta Crystallographica Section B, 2020, 76
2108625 CIF
HKL		C22 H17 F4 N OP 1 21 18.21; 6.33; 17.277
90; 102.41; 90		876.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108626 CIF
HKL		C22 H17 F4 N OP 1 21/c 19.705; 13.476; 13.843
90; 101.159; 90		1776.2Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108627 CIF
HKL		C22 H17 F4 N OP 1 21/c 19.642; 13.292; 13.931
90; 99.89; 90		1758.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108628 CIF
HKL		C22 H17 F4 N OP 1 21 18.317; 6.0774; 17.513
90; 103.095; 90		862.2Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108629 CIF
HKL		C22 H17 F4 N OP 1 21/c 113.366; 11.6008; 30.052
90; 130.787; 90		3528.1Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108630 CIF
HKL		C22 H17 F4 N OC 1 2/c 122.323; 13.499; 11.828
90; 98.459; 90		3525Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108631 CIF
HKL		C22 H17 F4 N OC 1 2/c 136.448; 6.1171; 16.087
90; 102.193; 90		3505.8Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108632 CIF
HKL		C22 H17 F4 N OP c a 2116.559; 17.595; 6.1048
90; 90; 90		1778.7Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108633 CIF
HKL		C22 H17 F4 N OP 1 21/c 19.445; 21.293; 9.59
90; 112.96; 90		1775.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108634 CIF
HKL		C22 H17 F4 N OC 1 2/c 136.079; 6.2372; 16.051
90; 104.627; 90		3494.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108635 CIF
HKL		C22 H17 F4 N OP 1 c 117.468; 6.2025; 16.338
90; 92.208; 90		1768.8Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108636 CIFC22 H17 F4 N OP 1 21/c 118.194; 6.147; 16.182
90; 104.903; 90		1748.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108637 CIF
HKL		C22 H17 F4 N OP 1 n 17.6714; 7.1287; 16.428
90; 100.298; 90		883.9Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108638 CIF
HKL		C22 H17 F4 N OP b c a16.643; 6.1042; 35.217
90; 90; 90		3577.8Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76
2108639 CIF
HKL		C22 H17 F4 N OP 1 21/c 112.287; 11.3169; 22.191
90; 145.954; 90		1727.5Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
Acta Crystallographica Section B, 2020, 76

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