Crystallography Open Database
Search results
Result: there are 317 entries in the selection
Switch to the old layout of the pageDownload 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 73
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108053 | CIF HKL Paper | C14 H13 F4 I O2 S2 | P -1 | 5.1915; 11.1729; 15.037 105.837; 90.773; 100.81 | 822.28 | Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles Acta Crystallographica Section B, 2017, 73, 240-246 |
| 2108054 | CIF HKL | C40 H36 F8 I2 N2 O4 S4 | P -1 | 7.7856; 10.1191; 14.647 91.391; 101.045; 110.18 | 1057.9 | Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles Acta Crystallographica Section B, 2017, 73, 240-246 |
| 2108055 | CIF HKL Paper | C14 H14 N2 O4 | I 1 2/a 1 | 20.333; 5.1356; 24.966 90; 90.909; 90 | 2606.7 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108056 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.332; 5.1318; 25.024 90; 90.917; 90 | 2610.7 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108057 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.296; 5.1263; 25.005 90; 90.95; 90 | 2601.2 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108058 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.088; 5.2242; 25.033 90; 92.308; 90 | 2624.9 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108059 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.084; 5.2206; 25.04 90; 92.375; 90 | 2623.2 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108060 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.126; 5.2212; 25.134 90; 92.401; 90 | 2638.8 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108061 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.161; 5.218; 25.234 90; 92.559; 90 | 2652 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108062 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.246; 5.2132; 25.372 90; 92.557; 90 | 2675.3 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108063 | CIF HKL Paper | C8 H40 Cr6 N4 O36 U4 | P 1 21 1 | 8.8638; 11.1097; 11.5441 90; 107.878; 90 | 1081.9 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108064 | CIF HKL | Cr H2.67 K0.47 O6.67 Rb0.19 U0.67 | P 1 21/c 1 | 11.0898; 10.5667; 16.2713 90; 90.109; 90 | 1906.7 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108065 | CIF HKL | C2.13 Cr0.8 N0.53 O4.53 U0.53 | P 1 21/c 1 | 11.4334; 11.525; 18.79 90; 92.427; 90 | 2473.7 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108066 | CIF HKL | C8 H38 Cr6 N4 O35 U4 | P 21 21 21 | 11.1281; 11.152; 32.85 90; 90; 90 | 4076.7 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108067 | CIF HKL Paper | C38 H46 Br4 Co N2 O4 | P -1 | 8.9545; 10.1012; 11.5659 85.879; 89.31; 65.16 | 946.72 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108068 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 8.9612; 10.1111; 11.5984 85.951; 89.29; 65.221 | 951.59 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108069 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 8.9788; 10.1598; 11.6606 86.014; 89.423; 65.463 | 965.1 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108070 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 9.0047; 10.2138; 11.6756 86.394; 89.775; 65.652 | 976.1 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108071 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 8.9569; 10.7763; 11.7042 85.308; 87.784; 62.483 | 998.56 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108072 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 9.008; 10.899; 11.769 85.328; 87.483; 62.462 | 1021.1 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108073 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.1281; 20.1281; 8.9942 90; 90; 120 | 3155.72 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108074 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.255; 20.255; 9.0132 90; 90; 120 | 3202.4 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108075 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.3624; 20.3624; 9.0045 90; 90; 120 | 3233.3 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108076 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.4697; 20.4697; 9.0166 90; 90; 120 | 3271.9 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108077 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.688; 20.688; 9.0563 90; 90; 120 | 3356.7 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108078 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.0094; 20.0094; 8.8987 90; 90; 120 | 3085.5 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108079 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.166; 20.166; 8.9271 90; 90; 120 | 3144 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108080 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.243; 20.243; 8.933 90; 90; 120 | 3170 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108081 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.334; 20.334; 8.945 90; 90; 120 | 3203 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108082 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.643; 20.643; 9.015 90; 90; 120 | 3327 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108083 | CIF HKL | C38 H44 Br6 Co N2 O4 | P -1 | 8.8113; 10.7232; 11.522 91.925; 93.441; 93.722 | 1083.64 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108084 | CIF HKL | C38 H44 Br6 Co N2 O4 | P -1 | 8.807; 10.6922; 11.4658 91.692; 93.393; 93.903 | 1074.69 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108085 | CIF HKL | C38 H44 Br6 Co N2 O4 | P -1 | 8.8725; 10.798; 11.6965 92.641; 94.358; 93.791 | 1113.43 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108086 | CIF HKL | C38 H44 Cl6 Co N2 O4 | P -1 | 8.7762; 10.5578; 11.4878 91.565; 93.882; 93.95 | 1058.92 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108087 | CIF HKL Paper | C66 H36 F16 I8 N6 | C 1 2/c 1 | 11.455; 27.777; 21.823 90; 95.607; 90 | 6911 | Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B, 2017, 73, 247-254 |
| 2108088 | CIF HKL | C54 H32 F4 I2 N4 | P 1 21/c 1 | 7.367; 11.435; 25.882 90; 93.609; 90 | 2176 | Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B, 2017, 73, 247-254 |
| 2108089 | CIF HKL | C30 H12 Cl4 F4 I2 N4 | P 1 21/c 1 | 10.5713; 21.091; 7.1214 90; 108.149; 90 | 1508.8 | Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B, 2017, 73, 247-254 |
| 2108090 | CIF HKL Paper | C27 H23 F6 I2 N3 O7 S2 | P b c n | 22.4519; 18.1915; 8.0879 90; 90; 90 | 3303.4 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard‒soft acid‒base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108091 | CIF HKL | C25 H20 I2 N4 O S2 | P -1 | 9.1203; 11.3562; 13.9355 77.294; 71.958; 77.39 | 1321.1 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard‒soft acid‒base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108092 | CIF HKL | C24.97 H17.94 Cl1.94 I2 N4 S2 | P -1 | 7.727; 10.9671; 16.978 103.375; 98.725; 94.093 | 1375.04 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard‒soft acid‒base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108093 | CIF HKL | C22 H16 I8 N2 | P 1 21/n 1 | 7.3983; 10.437; 41.8567 90; 93.424; 90 | 3226.2 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard‒soft acid‒base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108094 | CIF HKL Paper | C5 H7 N3 O6 S | P n a 21 | 17.891; 4.586; 10.941 90; 90; 90 | 897.7 | Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate Acta Crystallographica Section B, 2017, 73, 337-346 |
| 2108095 | CIF HKL Paper | C5 H7 N3 O6 S | P 1 21 1 | 9.051; 10.968; 18.268 90; 104.35; 90 | 1756.9 | Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate Acta Crystallographica Section B, 2017, 73, 337-346 |
| 2108096 | CIF HKL Paper | C14 H6 Br2 I2 O6 U | P 1 21/n 1 | 9.589; 17.193; 12.241 90; 101.085; 90 | 1980.4 | Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L. Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO~2~‒3-bromo-5-iodobenzoic acid coordination polymer Acta Crystallographica Section B, 2017, 73, 234-239 |
| 2108097 | CIF HKL Paper | C14 H14 N2 Ni2 O11 | P -1 | 13.7266; 16.9157; 16.908 69.7619; 69.3377; 69.3655 | 3325.9 | Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M. An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B, 2017, 73, 413-418 |
| 2108098 | CIF HKL | C56 H44 N8 Ni4 O44 | C 1 c 1 | 27.5303; 19.6477; 13.7534 90; 115.261; 90 | 6727.9 | Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M. An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B, 2017, 73, 413-418 |
| 2108099 | CIF HKL | C14 H12 N2 Ni O11 | P 1 21/c 1 | 13.6716; 10.0554; 13.7813 90; 115.185; 90 | 1714.46 | Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M. An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B, 2017, 73, 413-418 |
| 2108100 | CIF HKL Paper | C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94 | P -1 | 13.6173; 14.3205; 15.4896 77.4902; 71.7418; 76.5041 | 2755.4 | Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting Acta Crystallographica Section B, 2017, 73, 296-303 |
| 2108101 | CIF Paper | C27 H32 O14 P4 | C 1 2/c 1 | 29.093; 7.2893; 18.672 90; 127.61; 90 | 3136.8 | Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting Acta Crystallographica Section B, 2017, 73, 296-303 |
| 2108102 | CIF HKL Paper | C12 H46 I12 N6 O5 Sb2 | P 1 2/c 1 | 16.205; 8.7361; 16.4295 90; 92.216; 90 | 2324.16 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!