Crystallography Open Database

Result: there are 174 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials' volume of publication is 71

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 4 | Next 50 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2311272 CIF
Paper
H18 Mg O13 SeP 1 21/c 17.2223; 10.483; 17.327
90; 109.573; 90
1236Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.
Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327
2311273 CIF
Paper
H18 Mg O13 SeP 1 21/c 17.2264; 10.487; 17.33
90; 109.579; 90
1237.4Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.
Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327
2311274 CIF
Paper
H18 Mg O13 SeP 1 21/c 17.2389; 10.497; 17.349
90; 109.522; 90
1242.5Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.
Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327
2311275 CIF
Paper
H18 Mg O13 SeP 1 21/c 17.2604; 10.502; 17.388
90; 109.423; 90
1250.4Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.
Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327
2311666 CIFC14 H15 N4 O4 PP -19.2849; 10.835; 15.295
89.96; 84.78; 80.54
1511.3Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh
Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185
2311667 CIF
Paper
C36 H42 Ce N7 O15 P2P 1 21/n 114.8817; 15.9332; 36.7289
90; 96.133; 90
8659.1Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh
Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185
2311668 CIFC36 H42 Eu N7 O15 P2P 1 21/n 114.8395; 15.8178; 36.7471
90; 96.168; 90
8575.6Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh
Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185
2311669 CIF
Paper
C46 H54 Co N2 O4 P2 S4P 1 21/n 110.254; 15.557; 15.444
90; 102.287; 90
2407.2Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.
Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 221-227
2311670 CIFC42 H46 Co N2 O4 P2 S4P 1 21/n 111.8107; 14.4211; 12.8807
90; 104.929; 90
2119.8Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.
Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 221-227
2311671 CIFC46 H54 Co N2 O4 P2 S4P 1 21/c 18.0404; 16.3777; 18.9182
90; 98.074; 90
2466.5Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.
Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 221-227
2311672 CIFC46 H54 Co N2 O4 P2 S4P -19.5631; 9.8309; 14.2326
99.29; 98.602; 112.994
1181.83Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.
Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 221-227
2311673 CIF
Paper
C18 H22 N4 O7P -110.47; 14.6637; 15.0285
61.535; 83.55; 71.02
1915.6Tilborg, Anaelle; Carletta, Andrea; Wouters, Johan
Structural and energy insights on solid-state complexes with trimethoprim: a combined theoretical and experimental investigation.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 406-415
2311674 CIF
Paper
C19 H15 N3 O2C 1 c 110.3885; 16.7902; 8.9064
90; 97.704; 90
1539.48Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos
Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 416-426
2311675 CIF
Paper
C19 H14 N4 O4P 21 21 216.5715; 15.0533; 17.0598
90; 90; 90
1687.6Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos
Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 416-426
2311676 CIF
Paper
C17 H19 N3 O2P 1 21/c 116.1019; 7.6028; 12.3616
90; 91.615; 90
1512.7Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos
Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 416-426
2311677 CIF
Paper
C11 H13 Cl N2 O2P c a b5.183; 16.808; 27.247
90; 90; 90
2373.6Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore
How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 447-454
2311678 CIFC11 H9 Br N2 OP b c a10.1389; 7.5691; 27.0498
90; 90; 90
2075.9Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore
How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 447-454
2311679 CIFC11 H12 Br Cl N2 O2P -16.845; 7.141; 13.905
101.723; 95.164; 100.511
648.6Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore
How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 447-454
2311680 CIFC11 H15 N3 O6P -17.0408; 8.4596; 11.4455
89.438; 86.904; 82.072
674.22Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore
How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 447-454
2311681 CIFC11 H12 Cl N3 O3P 1 21/c 121.91; 8.0131; 14.3802
90; 97.325; 90
2504.08Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore
How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 447-454
2311682 CIF
Paper
C25 H27 F2 N3 O8P -18.6341; 10.5326; 14.302
89.016; 73.535; 82.924
1237.6Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng
From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 437-446
2311683 CIFC25 H28 F2 N7 O10P -19.551; 9.701; 15.45
83.87; 73.816; 83.271
1361.2Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng
From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 437-446
2311684 CIFC30 H35 F2 N5 O12P -110.032; 12.123; 14.336
86.396; 71.375; 74.221
1589.4Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng
From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 437-446
2311685 CIF
Paper
C20 H22 Cl2 Cu2 N8 O2P -18.251; 8.949; 9.596
64.89; 78.49; 66.231
586.8Vologzhanina, Anna V.; Kats, Svitlana V.; Penkova, Larisa V.; Pavlenko, Vadim A.; Efimov, Nikolay N.; Minin, Vadim V.; Eremenko, Igor L.
Combined analysis of chemical bonding in a Cu(II) dimer using QTAIM, Voronoi tessellation and Hirshfeld surface approaches.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 543-554

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 4 | Next 50 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!