Crystallography Open Database

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

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2311269 CIFC25 H31 N O5P 21 21 218.414; 13.76; 19.299
90; 90; 90
2234.4Parsons, Simon; Flack, Howard D.; Wagner, Trixie
Use of intensity quotients and differences in absolute structure refinement.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259
2311270 CIFC27 H48P 1 21 111.375; 10.878; 19.501
90; 104.237; 90
2338.9Parsons, Simon; Flack, Howard D.; Wagner, Trixie
Use of intensity quotients and differences in absolute structure refinement.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259
2311271 CIFC19 H26 N6 OP 21 21 2111.25467; 15.43831; 22.51824
90; 90; 90
3912.61Parsons, Simon; Flack, Howard D.; Wagner, Trixie
Use of intensity quotients and differences in absolute structure refinement.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259
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
2311276 CIFC21 H35 Cl N O2 P2 ReP 1 21/c 19.6475; 10.7392; 25.629
90; 68.684; 90
2473.7Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949
2311277 CIFC21 H35 Cl N O2 P2 ReI 1 2/a 118.6854; 10.7708; 25.599
90; 107.48; 90
4914.1Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949
2311629 CIFC19 H20 Cl N O6P 1 21 111.783; 8.5387; 19.297
90; 96.03; 90
1930.8Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311630 CIFC18 H20 Cl N O8P 21 21 218.5456; 11.74; 19.269
90; 90; 90
1933.2Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311631 CIFC18 H19.5 Cl N0.5 O7P 21 21 218.6852; 15.047; 27.605
90; 90; 90
3607.6Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311632 CIFC19 H22 Cl N O8C 1 2 121.931; 8.6541; 11.797
90; 117.57; 90
1984.7Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311633 CIF
Paper
C6 F10P 1 21/n 111.9302; 7.2371; 9.6574
90; 113.408; 90
765.2Solovyov, Leonid A.; Fedorov, Alexandr S.; Kuzubov, Aleksandr A.
Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 395-397
2311634 CIF
Paper
C13 H10 N4P 1 21/c 122.6348; 5.825; 17.8421
90; 113.007; 90
2165.32Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311635 CIFC13 H9 F N4P 1 21/c 112.2031; 7.9798; 11.6329
90; 104.043; 90
1098.94Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311636 CIFC13 H9 Cl N4C 1 2/c 116; 5.9258; 24.3829
90; 93.109; 90
2308.4Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311637 CIFC14 H12 N4P 1 21 15.7797; 6.7414; 15.0259
90; 92.359; 90
584.96Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311638 CIFC14 H9 F3 N4P -15.746; 7.2076; 15.2997
103.045; 98.768; 92.29
608.25Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311639 CIFC14 H9 N5C 1 2/c 116.0427; 5.8677; 24.487
90; 92.354; 90
2303.1Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311640 CIFC14 H12 N4 OP 13.7837; 10.8502; 15.22
109.226; 97.056; 91.514
584.03Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311641 CIF
Paper
C14 H10 N4 O2P 1 21/c 110.597; 14.471; 7.7343
90; 90.121; 90
1186Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2311642 CIF
Paper
C20 H18 Cl2 F3 N3 O2 SP -17.7005; 11.2405; 13.7322
111.249; 90.907; 99.769
1087.88Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak
Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 681-696
2311643 CIFC19 H20 Br Cl2 N3 O3P 1 21/c 114.8702; 8.091; 17.7304
90; 92.203; 90
2131.7Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak
Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 681-696
2311644 CIF
Paper
C44 H56 F2 N6 O14P -19.4994; 14.3694; 18.1458
103.853; 96.528; 106.946
2255.11Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Supramolecular structures and physicochemical properties of norfloxacin salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760
2311645 CIFC41 H57 F2 N6 O21P -17.4031; 9.7515; 30.9801
88.088; 85.673; 81.38
2204.38Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Supramolecular structures and physicochemical properties of norfloxacin salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760
2311646 CIFC23 H26 F N3 O7P 1 21/c 18.0761; 14.7184; 18.777
90; 99.269; 90
2202.83Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Supramolecular structures and physicochemical properties of norfloxacin salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760
2311647 CIFC21 H30 F N3 O10 SP -19.041; 10.767; 12.438
89.118; 81.88; 74.64
1155.5Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Supramolecular structures and physicochemical properties of norfloxacin salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760
2311648 CIFC26 H23 F N3 O10 SP b c a11.6515; 7.4209; 61.8325
90; 90; 90
5346.3Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Supramolecular structures and physicochemical properties of norfloxacin salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760
2311649 CIFC23 H26 F N3 O7P -17.0237; 9.9645; 17.4655
91.1; 97.543; 109.906
1136.71Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Supramolecular structures and physicochemical properties of norfloxacin salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760
2311650 CIFC23 H26 F N3 O7P -17.3258; 19.8297; 23.9108
96.924; 97.21; 96.143
3394.48Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Supramolecular structures and physicochemical properties of norfloxacin salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760
2311651 CIFC6 H10 O4C 1 2/c 112.555; 6.16; 14.163
90; 139.71; 90
708.3Joseph, Sumy; Sathishkumar, Ranganathan
Succinate esters: odd-even effects in melting points.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846
2311652 CIFC8 H14 O4C 1 2/c 111.953; 8.714; 9.039
90; 98.367; 90
931.5Joseph, Sumy; Sathishkumar, Ranganathan
Succinate esters: odd-even effects in melting points.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846
2311653 CIFC10 H18 O4P -14.3722; 7.829; 8.718
113.011; 90.935; 97.047
271.92Joseph, Sumy; Sathishkumar, Ranganathan
Succinate esters: odd-even effects in melting points.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846
2311654 CIFC12 H22 O4P 1 21/c 110.64; 4.2351; 15.758
90; 112.61; 90
655.5Joseph, Sumy; Sathishkumar, Ranganathan
Succinate esters: odd-even effects in melting points.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846
2311655 CIFC10 H14 O4P 1 21/c 18.808; 8.553; 6.86
90; 97.58; 90
512.3Joseph, Sumy; Sathishkumar, Ranganathan
Succinate esters: odd-even effects in melting points.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846
2311656 CIFC18 H18 O4P b c a10.219; 8.26; 17.923
90; 90; 90
1512.9Joseph, Sumy; Sathishkumar, Ranganathan
Succinate esters: odd-even effects in melting points.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846
2311657 CIF
Paper
C42 H46 N2 Ni O4 P2 S4P 1 21/n 111.7905; 14.4443; 12.8825
90; 105.195; 90
2117.26Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K.
Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 761-767
2311658 CIFC46 H54 N2 Ni O4 P2 S4P -19.5505; 9.801; 14.2026
99.315; 98.447; 112.821
1176.64Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K.
Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 761-767
2311659 CIFC46 H54 N2 Ni O4 P2 S4P -16.9327; 11.2267; 15.5768
102.744; 94.409; 103.785
1137.67Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K.
Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 761-767
2311660 CIF
Paper
C23 H22 N2 O2P 1 21/c 14.81; 20.601; 18.831
90; 91.95; 90
1864.9Kaczmarek, Małgorzata T; Kubicki, Maciej
The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 792-800
2311661 CIFC23 H22 N2 O2P 1 21/c 121.694; 12.599; 21.236
90; 93.38; 90
5794.2Kaczmarek, Małgorzata T; Kubicki, Maciej
The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 792-800
2311662 CIFC23 H22 N2 O2P 1 21 19.464; 20.64; 19.219
90; 103.93; 90
3643.8Kaczmarek, Małgorzata T; Kubicki, Maciej
The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 792-800
2311663 CIF
Paper
C5 H4 Fe N6 Na2 O3P n n m6.14102; 11.8451; 15.5509
90; 90; 90
1131.19Wenger, Emmanuel; Dahaoui, Slimane; Alle, Paul; Parois, Pascal; Palin, Cyril; Lecomte, Claude; Schaniel, Dominik
XPAD X-ray hybrid pixel detector for charge density quality diffracted intensities on laboratory equipment.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 783-791
2311664 CIF
Paper
C4 H11 N O10P -16.2372; 7.1935; 10.4745
94.5207; 99.8882; 96.7177
457.45Jarzembska, Katarzyna N.; Kamiński, Radosław; Dobrzycki, Lukasz; Cyrański, Michał K
First experimental charge density study using a Bruker CMOS-type PHOTON 100 detector: the case of ammonium tetraoxalate dihydrate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 847-855
2311665 CIF
Paper
C1.29 H7.59 Au Cl4 O2P -18.0454; 8.0457; 10.291
94.31; 104.08; 109.21
601.3Kubus, Mariusz; Ströbele, Markus; Meyer, H Jürgen
Structure of a new chloroauric acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 897-899
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
2311686 CIF
Paper
C5 H11 N O2P 1 21 19.6697; 5.2749; 12.063
90; 90.803; 90
615.23Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena
Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 160-163
2311687 CIF
Paper
C9 H15 N O6P 1 21 15.7793; 7.5974; 12.9136
90; 93.13; 90
566.16Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena
Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 160-163
2311688 CIF
Paper
C4 H4 O4P 1 21/c 17.1511; 10.1107; 7.6405
90; 119.405; 90
481.26Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena
Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 160-163
2311689 CIF
Paper
Mo O3P m c n3.6961; 3.96122; 13.85331
90; 90; 90
202.827Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer
A novel polytype - the stacking fault based γ-MoO3 nanobelts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 201-208
2311690 CIFC8 H15 N O3P b c a7.0603; 9.2687; 29.062
90; 90; 90
1901.8Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi
Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 650-657
2311691 CIFC8 H15 N O3P b c a11.6067; 12.8312; 13.3226
90; 90; 90
1984.11Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi
Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 650-657
2311692 CIFC8 H18 N2 O3P 1 21/n 17.907; 5.843; 23.633
90; 96.126; 90
1085.6Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi
Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 650-657
2311693 CIFC8 H18 N2 O3P n a 2124.376; 7.5507; 5.8064
90; 90; 90
1068.7Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi
Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 650-657
2311694 CIF
Paper
C20 H24R -3 :H15.9791; 15.9791; 5.58227
90; 90; 120
1234.37Solovyov, Leonid A.
Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 738-743
2311695 CIF
Paper
C18 H20 N4 O8P -13.81737; 9.60821; 13.36297
94.2993; 91.7434; 91.7142
488.268Solovyov, Leonid A.
Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 738-743
2311696 CIF
Paper
C38 H24 I2 N4P -19.7245; 10.1191; 17.5288
87.839; 80.433; 70.331
1601.35Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311697 CIFC38 H24 I2 N8C 1 2/c 116.0411; 22.6435; 9.6728
90; 102.322; 90
3432.5Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311698 CIF
Paper
C38 H24 I2 N4 O2P -19.6027; 10.0523; 18.021
85.6; 80.043; 68.603
1595.1Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311699 CIFC30 H20 I2 N2P -19.5153; 9.6261; 14.368
96.346; 93.215; 103.295
1268.4Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311700 CIFC30 H18 I2 N2P 1 21/c 114.4231; 13.6011; 13.4798
90; 109.397; 90
2494.2Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311701 CIF
Paper
C20 H12 Cl2 S2P c a 217.824; 28.782; 14.35
90; 90; 90
3231.5Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro
Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 265-275
2311702 CIFC20 H12 Cl2 Se2P c a 217.8933; 29.1713; 14.4594
90; 90; 90
3329.39Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro
Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 265-275
2311703 CIFC20 H12 Br2 Se2P -17.8394; 8.0986; 15.065
90.941; 101.888; 111.093
868.92Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro
Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 265-275
2311704 CIF
Paper
Li Nb O3R 3 c :H5.146; 5.146; 13.859
90; 90; 120
317.84Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311705 CIFLi Nb0.7 O3 Ta0.3R 3 c :H5.145; 5.145; 13.841
90; 90; 120
317.3Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311706 CIFLi Nb0.47 O3 Ta0.53R 3 c :H5.147; 5.147; 13.834
90; 90; 120
317.39Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311707 CIFLi Nb0.4 O3 Ta0.6R 3 c :H5.147; 5.147; 13.798
90; 90; 120
316.56Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311708 CIFLi Nb0.36 O3 Ta0.64R 3 c :H5.149; 5.149; 13.786
90; 90; 120
316.53Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311709 CIFLi Nb0.11 O3 Ta0.89R 3 c :H5.151; 5.151; 13.776
90; 90; 120
316.55Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311710 CIFLi Nb0.08 O3 Ta0.92R 3 c :H5.149; 5.149; 13.781
90; 90; 120
316.42Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311711 CIFLi O3 TaR 3 c :H5.148; 5.148; 13.767
90; 90; 120
315.97Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311712 CIF
Paper
C20 H19 F N8 O2P -18.0917; 10.8937; 11.7949
88.338; 82.344; 78.787
1010.76Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311713 CIF
Paper
C22 H22 F N9 O2P -18.4657; 11.4408; 13.1812
112.419; 90.914; 93.446
1176.99Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311714 CIF
Paper
C21.5 H22.5 F N8.5 O2.5P -110.6703; 13.422; 16.9095
73.92; 74.788; 83.294
2242.9Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311715 CIF
Paper
C20 H19 F N8 O2P -113.1749; 13.7062; 14.4719
70.217; 72.912; 70.776
2272.5Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311716 CIF
Paper
Cu3.313 SiP -3 1 c16.2448; 16.2448; 44.017
90; 90; 120
10059.6Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš
Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 767-774
2311717 CIF
Paper
Cu3.311 SiP -356.98; 56.98; 44.055
90; 90; 120
123871Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš
Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 767-774
2311718 CIFC4 H12 Cl4 Fe NP b m a13.1442; 13.9946; 6.4272
90; 90; 90
1182.27Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311719 CIFC4 H12 Cl4 Fe NP b m a13.1361; 14.0158; 6.4831
90; 90; 90
1193.62Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855

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