Crystallography Open Database

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9013896 CIFAs3 Ba2.951 Cl O12 Sr2.047P 63/m10.39; 10.39; 7.575
90; 90; 120
708.181Dordevic, T.; Sutovic, S.; Stojanovic, J.; Karanovic, L.
Sr, Ba and Cd arsenates with the apatite-type structure
Acta Crystallographica, Section C, 2008, 64, i82-i86
2016888 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP n a 2119.9121; 7.3459; 9.1384
90; 90; 90
1336.69Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.
Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form
Acta Crystallographica Section C, 2008, 64, o623-o625
2016887 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP b c a9.3198; 10.3218; 26.2663
90; 90; 90
2526.74Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.
Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form
Acta Crystallographica Section C, 2008, 64, o623-o625
2016886 CIF
HKL
Paper
C76.6 H67.2 Br Cl2.2 F6 N2 P6 WP 1 21/c 118.2621; 14.706; 28.934
90; 98.236; 90
7690.4Colquhoun, Howard M.; Chippindale, Ann M.; Chan, Yun Fu
A tungsten complex containing a highly delocalized metal‒ligand system
Acta Crystallographica Section C, 2008, 64, m390-m393
2016885 CIF
HKL
Paper
C29 H33 N3 O3P 1 21/c 19.1904; 11.9402; 22.2888
90; 97.287; 90
2426.1Trilleras, Jorge; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher
Hydrogen-bonded chains of rings in 3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione and 3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione
Acta Crystallographica Section C, 2008, 64, o671-o674
2016884 CIF
HKL
Paper
C29 H30 F3 N3 O2P 1 21/n 111.9298; 10.5678; 19.614
90; 96.627; 90
2456.2Trilleras, Jorge; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher
Hydrogen-bonded chains of rings in 3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione and 3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione
Acta Crystallographica Section C, 2008, 64, o671-o674
2016883 CIF
HKL
Paper
C34.34 H45.02 N3 O5.67P b c a13.577; 17.476; 26.67
90; 90; 90
6328Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions
Acta Crystallographica Section C, 2008, 64, o665-o670
2016882 CIF
HKL
Paper
C31 H35 N3 O4P -19.2691; 11.0898; 12.802
92.844; 95.185; 91.07
1308.6Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions
Acta Crystallographica Section C, 2008, 64, o665-o670
2016881 CIF
HKL
Paper
C32 H39 N3 O4P 1 21/c 112.4683; 10.2892; 21.7635
90; 90.843; 90
2791.7Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions
Acta Crystallographica Section C, 2008, 64, o665-o670
2016880 CIF
HKL
Paper
C31 H37 N3 O3P -19.5971; 11.2549; 12.1452
86.979; 85.487; 87.216
1304.7Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions
Acta Crystallographica Section C, 2008, 64, o665-o670
2016879 CIF
HKL
Paper
C19 H17 N5 O2P 1 21/n 17.6718; 13.2928; 15.969
90; 95.343; 90
1621.4Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures
Acta Crystallographica Section C, 2008, 64, o643-o648
2016878 CIF
HKL
Paper
C18 H14 N6 O3P 1 21/n 17.047; 13.502; 16.418
90; 91.22; 90
1561.8Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures
Acta Crystallographica Section C, 2008, 64, o643-o648
2016877 CIF
Paper
C18 H14 F N5 OP 1 21/n 16.9115; 12.8801; 16.56
90; 95.11; 90
1468.3Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures
Acta Crystallographica Section C, 2008, 64, o643-o648
2016876 CIF
HKL
Paper
C18 H15 N5 OP 1 21/n 17.022; 12.855; 16.199
90; 93.851; 90
1458.9Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures
Acta Crystallographica Section C, 2008, 64, o643-o648
2016875 CIF
HKL
Paper
C8 H9 N OP 1 21/n 14.7069; 16.036; 19.104
90; 91.08; 90
1441.7Michta, Anna; Nowak, Maria; Kusz, Joachim
<i>N</i>-Benzylformamide at 150K
Acta Crystallographica Section C, 2008, 64, o633-o636
2016874 CIF
HKL
Paper
C31.5 H23.5 N4.5 O5.5 ZnP -111.2278; 11.3944; 11.8165
84.345; 69.421; 83.982
1404.4Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng
Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates
Acta Crystallographica Section C, 2008, 64, m401-m404
2016873 CIF
HKL
Paper
C56 H44 N8 O12 Zn2P 1 21/n 113.1521; 11.9082; 15.9668
90; 98.391; 90
2473.9Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng
Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates
Acta Crystallographica Section C, 2008, 64, m401-m404
2016872 CIF
HKL
Paper
C10 H16 Ba O9P 1 21/c 117.3; 8.6107; 9.6027
90; 92.41; 90
1429.2Guo, Ming-Lin; Guo, Chen-Hu
Poly[[aqua(μ-2,2-dimethylmalonato)barium(II)] 2,2-dimethylmalonic acid solvate]
Acta Crystallographica Section C, 2008, 64, m398-m400
2016871 CIF
HKL
Paper
C14 H18 N4 O2C 1 2/c 110.7178; 17.9925; 15.3662
90; 94.006; 90
2956Xu, Xing-Man; Su, Ping; Meng, Xiang-Gao
A new polymorph of 1,4-bis(imidazol-1-ylmethyl)benzene dihydrate and its hydrogen-bonded fivefold interpenetrated CdSO~4~ network
Acta Crystallographica Section C, 2008, 64, o675-o678
2016870 CIF
Paper
C8 H16 N O4.5C 1 2 112.4567; 7.3097; 9.592
90; 93.8151; 90
871.46Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.
The absolute configuration of 1-epialexine hemihydrate
Acta Crystallographica Section C, 2008, 64, o649-o652
2016869 CIF
Paper
C8 H16 N O4.5C 1 2 112.419; 7.2933; 9.5671
90; 93.841; 90
864.6Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.
The absolute configuration of 1-epialexine hemihydrate
Acta Crystallographica Section C, 2008, 64, o649-o652
2016868 CIF
Paper
C8 H16 N O4.5C 1 2 112.4267; 7.30208; 9.5708
90; 93.839; 90
866.51Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.
The absolute configuration of 1-epialexine hemihydrate
Acta Crystallographica Section C, 2008, 64, o649-o652
2016867 CIF
Paper
C8 H16 N O4.5C 1 2 112.4594; 7.3115; 9.5878
90; 93.843; 90
871.45Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.
The absolute configuration of 1-epialexine hemihydrate
Acta Crystallographica Section C, 2008, 64, o649-o652
2016866 CIF
HKL
Paper
C20 H40 O6 Si2P 1 21/n 115.0964; 13.6368; 24.291
90; 106.676; 90
4790.4Foces-Foces, C.; López-Rodríguez, M.
Hydrogen-bonded layered structures in two bis(<i>tert</i>-butyldimethylsilyloxy)-substituted cyclic diol derivatives
Acta Crystallographica Section C, 2008, 64, o657-o660
2016865 CIF
HKL
Paper
C20 H42 O5 Si2P 1 21/c 127.7623; 14.3663; 12.6076
90; 93.491; 90
5019.1Foces-Foces, C.; López-Rodríguez, M.
Hydrogen-bonded layered structures in two bis(<i>tert</i>-butyldimethylsilyloxy)-substituted cyclic diol derivatives
Acta Crystallographica Section C, 2008, 64, o657-o660
2016864 CIF
HKL
Paper
C56 H48 Cl12 N4 O6 Si2P -19.8831; 11.2094; 14.7584
102.853; 101.899; 98.733
1525.91Böhme, Uwe; Günther, Betty; Schwarzer, Anke
Formation of a silicon-containing macrocycle with a pyridoxalimine Schiff base ligand
Acta Crystallographica Section C, 2008, 64, o630-o632
2016863 CIF
HKL
Paper
C32 H37 F3 N3 O2.5P -110.327; 11.997; 12.427
75.016; 70.059; 84.481
1398Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures
Acta Crystallographica Section C, 2008, 64, o637-o642
2016862 CIF
HKL
Paper
C32 H40 N3 O2.5C 1 2/c 127.281; 10.6438; 21.567
90; 122.082; 90
5306.1Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures
Acta Crystallographica Section C, 2008, 64, o637-o642
2016861 CIF
HKL
Paper
C31 H37 Br N3 O2.5C 1 2/c 127.4453; 10.5519; 21.715
90; 122.484; 90
5304.7Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures
Acta Crystallographica Section C, 2008, 64, o637-o642
2016860 CIF
HKL
Paper
C31 H37 Cl N3 O2.5C 1 2/c 127.419; 10.586; 21.58
90; 122.625; 90
5275.4Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher
Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures
Acta Crystallographica Section C, 2008, 64, o637-o642
2016859 CIF
HKL
Paper
Ag0.35 As1.7 Cu0.65 Hg1.7 S6 Sb0.3 Tl Zn0.3I -4 2 m9.9821; 9.9821; 11.3122
90; 90; 90
1127.2Bindi, Luca
Routhierite, Tl(Cu,Ag)(Hg,Zn)~2~(As,Sb)~2~S~6~
Acta Crystallographica Section C, 2008, 64, i95-i96
2016858 CIF
HKL
Paper
C16 H18 I N O2P 21 21 216.9616; 12.8517; 17.7512
90; 90; 90
1588.17Lemmerer, Andreas
The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules
Acta Crystallographica Section C, 2008, 64, o626-o629
2016857 CIF
HKL
Paper
C16 H19 N O2P c c n16.2963; 23.3235; 7.4094
90; 90; 90
2816.2Lemmerer, Andreas
The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules
Acta Crystallographica Section C, 2008, 64, o626-o629
2016856 CIF
HKL
Paper
C18 H25 B2 Co F8 N10 OP 1 21/c 19.1704; 18.2328; 15.3594
90; 93.843; 90
2562.3Atria, Ana María; Corsini, Gino; Talamilla, Arlyn; Garland, Maria Teresa; Baggio, Ricardo
[2-(2-{Bis[2-(1<i>H</i>-imidazol-2-ylmethyleneamino)ethyl]amino}ethyliminomethyl)imidazolido]cobalt(III) bis(tetrafluoridoborate) monohydrate
Acta Crystallographica Section C, 2008, 64, m387-m389
2016853 CIF
HKL
Paper
C17 H26 Cl N3 O2 SP -16.1914; 12.2298; 12.9948
78.348; 76.338; 86.033
936.18Ravikumar, K.; Sridhar, B.; Krishnan, Harihara; Singh, A. N.
Halide salts of antimigraine agents eletriptan and naratriptan
Acta Crystallographica Section C, 2008, 64, o653-o656
2016852 CIF
HKL
Paper
C22 H29 Br N2 O3 SP 21 21 219.4019; 13.4089; 18.0173
90; 90; 90
2271.4Ravikumar, K.; Sridhar, B.; Krishnan, Harihara; Singh, A. N.
Halide salts of antimigraine agents eletriptan and naratriptan
Acta Crystallographica Section C, 2008, 64, o653-o656
2016851 CIF
HKL
Paper
C12 H10 Cl2 Hg N4P -17.8769; 8.8723; 11.13
102.88; 98.22; 109.7
693.4Liu, Chun-Sen; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Fang, Shao-Ming
<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1-(2-pyridylmethyl)-1<i>H</i>-benzotriazole]: the effect of different metal centers on the self-assembly of coordination complexes
Acta Crystallographica Section C, 2008, 64, m394-m397
2016850 CIF
HKL
Paper
C5 H5 N OP b c a11.953; 11.146; 13.914
90; 90; 90
1853.7Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim
Two polymorphs of anhydrous 4-pyridone at 100K
Acta Crystallographica Section C, 2008, 64, o661-o664
2016849 CIF
HKL
Paper
C5 H5 N OC 1 2/c 115.137; 11.966; 11.168
90; 112.9; 90
1863.4Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim
Two polymorphs of anhydrous 4-pyridone at 100K
Acta Crystallographica Section C, 2008, 64, o661-o664
2016848 CIF
HKL
Paper
C8 H8 I2 O2P b c a8.993; 13.882; 16.506
90; 90; 90
2060.6Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo
Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
Acta Crystallographica Section C, 2008, 64, o604-o608
2016847 CIF
HKL
Paper
C8 H8 Br2 O2P -110.1172; 10.2052; 20.2764
104.171; 98.9405; 101.063
1946.49Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo
Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
Acta Crystallographica Section C, 2008, 64, o604-o608
2016846 CIF
HKL
Paper
C6 H6 N4 O3 PbP 1 21/c 110.815; 12.963; 6.3422
90; 105.33; 90
857.5Huang, Gansheng; Liu, Dongsheng; Huang, Xihe; Huang, Changcang; Qin, Xiaohuan
Poly[(μ~2~-aqua-κ^2^<i>O</i>:<i>O</i>)(μ~3~-azido-κ^3^<i>N</i>^1^:<i>N</i>^1^:<i>N</i>^3^)(μ~2~-isonicotinato-κ^2^<i>O</i>:<i>O</i>')lead(II)]
Acta Crystallographica Section C, 2008, 64, m369-m371
2016845 CIF
HKL
Paper
C46 H26 Mn2 N4 O8P -111.993; 13.516; 14.196
62.13; 70.55; 82.24
1917.6Che, Guang-Bo; Wang, Jian; Liu, Chun-Bo; Li, Xiu-Ying; Liu, Bo
A one-dimensional chain structure based on unusual tetranuclear manganese(II) clusters
Acta Crystallographica Section C, 2008, 64, m362-m364
2016844 CIF
HKL
Paper
C25 H35 N3 O2P -18.4655; 11.5938; 13.0982
68.331; 86.752; 72.289
1135.83Basu, Sharmila; Ghosh, Soumen; Ghosh, Somnath; Helliwell, Madeleine; Mukherjee, Alok K.
<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>-[4-(1<i>H</i>-indol-3-yl)butanoyl]urea
Acta Crystallographica Section C, 2008, 64, o595-o598
2016843 CIF
HKL
Paper
C17 H16 N2 O4 SP b c a12.9699; 15.2714; 16.6176
90; 90; 90
3291.42Karczmarzyk, Zbigniew
Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide
Acta Crystallographica Section C, 2008, 64, o590-o594
2016842 CIF
HKL
Paper
C12 H14 N2 O4 SP 1 21/n 18.9023; 14.3095; 10.6151
90; 105.817; 90
1301.03Karczmarzyk, Zbigniew
Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide
Acta Crystallographica Section C, 2008, 64, o590-o594
2016841 CIF
HKL
Paper
C6 H20 F5 N2 Nb O7P -16.9552; 7.2092; 8.0205
74.609; 86.223; 74.016
372.74Gerasimenko, A. V.; Pushilin, M. A.; Davidovich, R. L.
Disordering of the [NbOF~5~]^2{-^} complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate
Acta Crystallographica Section C, 2008, 64, m358-m361
2016840 CIF
HKL
Paper
C4 H12 F5 N2 Nb O5P 1 21/c 15.3532; 10.8585; 8.9913
90; 90.022; 90
522.64Gerasimenko, A. V.; Pushilin, M. A.; Davidovich, R. L.
Disordering of the [NbOF~5~]^2{-^} complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate
Acta Crystallographica Section C, 2008, 64, m358-m361
2016839 CIF
HKL
Paper
C4 H28 O39 S8 Yb6P 1 21/n 18.7633; 12.448; 16.2201
90; 96.158; 90
1759.17Zhang, Zai-Chao
Poly[hexaaquaocta-μ~3~-hydroxido-tetrakis(μ~3~-methylenedisulfonato)-μ~6~-oxido-hexaytterbium(III)]: the first lanthanide sulfonate containing a hexanuclear Ln‒hydroxide/oxide cluster synthesized <i>via</i> `ligand-controlled acidolysis' of lanthanide oxide
Acta Crystallographica Section C, 2008, 64, m381-m383
2016838 CIF
HKL
Paper
C10 H18 N O3 S2P -15.7386; 15.0677; 15.4981
88.411; 88.55; 83.009
1329.28Zielke, Vitali; Eickmeier, Henning; Hideg, Kalman; Reuter, Hans; Steinhoff, Heinz-Jürgen
A commonly used spin label: <i>S</i>-(2,2,5,5-tetramethyl-1-oxyl-Δ^3^-pyrrolin-3-ylmethyl) methanethiosulfonate
Acta Crystallographica Section C, 2008, 64, o586-o589
2016837 CIF
HKL
Paper
Cd2 Cu O8 P2P -14.7982; 5.5801; 6.7217
74.266; 86.33; 69.924
162.617Stojanović, Jovica; Dordević, Tamara; Karanović, Ljiljana
Cd~2~Cu(PO~4~)~2~
Acta Crystallographica Section C, 2008, 64, i91-i94
2016836 CIF
HKL
Paper
C45 H38 N10 O2 ZnP 1 21/c 113.5385; 15.0756; 19.224
90; 100.42; 90
3858.9Yang, Feng-Ju; Fang, Xin; Yu, Hai-Yang; Wang, Jun-Dong
(4-Aminopyridine-κ<i>N</i>^1^)(phthalocyaninato-κ^4^<i>N</i>)zinc(II) tetrahydrofuran disolvate
Acta Crystallographica Section C, 2008, 64, m375-m377
2016835 CIF
HKL
Paper
C44 H54 Mn2 N23 O28C 1 2/c 127.1406; 23.1672; 9.7838
90; 108.819; 90
5822.9Aghabozorg, Hossein; Derikvand, Zohreh; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar
Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)manganate(II/III)] hydroxide pyridine-2,6-dicarboxylic acid solvate pentahydrate
Acta Crystallographica Section C, 2008, 64, m372-m374
2016834 CIF
HKL
Paper
C6 H21 Eu O12 S3I 1 2/a 124.323; 5.4408; 27.066
90; 111.328; 90
3336.5Wallus, Sarah; Frank, Walter
The first structural characterization of a rare earth ethanesulfonate
Acta Crystallographica Section C, 2008, 64, m384-m386
2016833 CIF
HKL
Paper
C2 H8 N4 O5 SP -16.84; 7.374; 8.019
76.48; 66.48; 78.43
358Hołyńska, Małgorzata; Kubiak, Maria
Products of the oxidation of 1-(diaminomethylene)thiourea with hydrogen peroxide
Acta Crystallographica Section C, 2008, 64, o609-o612
2016832 CIF
HKL
Paper
C2 H4 N4 SP 1 21/n 13.923; 10.701; 10.754
90; 93.4; 90
450.7Hołyńska, Małgorzata; Kubiak, Maria
Products of the oxidation of 1-(diaminomethylene)thiourea with hydrogen peroxide
Acta Crystallographica Section C, 2008, 64, o609-o612
2016831 CIF
HKL
Paper
C16 H21 Co N2 O10 P SC m c a14.9569; 22.5625; 12.1697
90; 90; 90
4106.8Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun
Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]
Acta Crystallographica Section C, 2008, 64, m353-m357
2016830 CIF
HKL
Paper
C26 H27 Ag2 N4 O9 P SP b c n14.539; 17.472; 22.623
90; 90; 90
5747Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun
Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]
Acta Crystallographica Section C, 2008, 64, m353-m357
2016829 CIF
HKL
Paper
C7 H2 F3 NC m c m7.5228; 13.8222; 30.755
90; 90; 90
3198Britton, Doyle
2,4,6-Trifluorobenzonitrile
Acta Crystallographica Section C, 2008, 64, o583-o585
2016828 CIF
HKL
Paper
C34 H38 N4 OP 1 21/n 112.5261; 9.8849; 24.3711
90; 92.211; 90
3015.4Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.
Geometry and bond-length alternation in nonlinear optical materials. III. Structural parameters of two chromophores containing aromatizable donors
Acta Crystallographica Section C, 2008, 64, o616-o619
2016827 CIF
HKL
Paper
C32 H36 N4 OP 1 21/n 111.983; 17.5374; 14.0363
90; 107.289; 90
2816.5Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.
Geometry and bond-length alternation in nonlinear optical materials. III. Structural parameters of two chromophores containing aromatizable donors
Acta Crystallographica Section C, 2008, 64, o616-o619
2016826 CIF
HKL
Paper
C12 H11 Cd Cl N2 O4P 1 21/n 17.2418; 13.4867; 12.9531
90; 90.229; 90
1265.1Gui, Liu-Cheng; Li, Fa-Si; Cen, Zhong-Min; Wang, Xiu-Jian; Li, Bin
A coordination polymer of CdCl~2~ with the novel zwitterionic dicarboxylate ligand 2,2'-(2-methylbenzimidazolium-1,3-diyl)diacetate (pda)
Acta Crystallographica Section C, 2008, 64, m378-m380
2016825 CIF
HKL
Paper
H4 Na2 O13 Si4 TiP n c a16.32; 8.7378; 7.3854
90; 90; 90
1053.2Cadoni, Marcella; Ferraris, Giovanni
Penkvilksite-2<i>O</i>: Na~2~TiSi~4~O~11~·2H~2~O
Acta Crystallographica Section C, 2008, 64, i87-i90
2016824 CIF
HKL
Paper
C26 H32 N2 O6 S2C 1 2 117.483; 5.8363; 13.086
90; 99.033; 90
1318.7Brüning, Jürgen; Bats, Jan W.; Schmidt, Martin U.
Rasagiline ethanedisulfonate: an inhibitor for monoamine oxygenase B (MAO~B~)
Acta Crystallographica Section C, 2008, 64, o613-o615
2016823 CIF
HKL
Paper
C18 H16 O4C 1 2/m 117.8007; 6.8163; 13.9992
90; 117.809; 90
1502.42Allouchi, Hassan; Bravic, Georges; Lahrahar, Nacer; Desvergne, Jean-Pierre; Bouas-Laurent, Henri
2,3-Diethoxy-9,10-anthraquinone
Acta Crystallographica Section C, 2008, 64, o620-o622
2016822 CIF
HKL
Paper
C56 H48 Cd3 N8 O12P -18.321; 10.977; 15.365
71.62; 75.16; 71.89
1246.3Kong, Zhi-Guo; Wang, Jia-Jun; Wang, Xiu-Yan
A novel cadmium(II) coordination polymer with a four-connected (4,4)-net based on a trinuclear cadmium(II) node
Acta Crystallographica Section C, 2008, 64, m365-m368
2016821 CIF
Paper
C9 H11 N SP 21 21 215.5957; 8.2201; 19.278
90; 90; 90
886.7Śmiszek-Lindert, Wioleta; Lindert, Olaf; Nowak, Maria; Kusz, Joachim
3'-Methylacetanilide and <i>N</i>-benzylthioacetamide at low temperature
Acta Crystallographica Section C, 2008, 64, o599-o603
2016820 CIF
Paper
C9 H11 N OP 1 21/c 112.28; 9.4471; 7.3028
90; 99.97; 90
834.4Śmiszek-Lindert, Wioleta; Lindert, Olaf; Nowak, Maria; Kusz, Joachim
3'-Methylacetanilide and <i>N</i>-benzylthioacetamide at low temperature
Acta Crystallographica Section C, 2008, 64, o599-o603
2016819 CIF
HKL
Paper
C52 H28 Cd2 N8 O8P 1 21/c 110.162; 18.04; 24.16
90; 92.78; 90
4423.9Qiao, Qian; Zhao, Ya-Juan; Tang, Tian-Di
A six-connected α-polonium net based on tetranuclear Cd^II^ nodes
Acta Crystallographica Section C, 2008, 64, m336-m338
2016818 CIF
HKL
Paper
C19 H13 N5 O2C 1 c 116.384; 9.725; 13.181
90; 127.36; 90
1669.3Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena
2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism
Acta Crystallographica Section C, 2008, 64, o574-o577
2016817 CIF
HKL
Paper
C19 H13 N5 O2P 1 21 19.032; 11.758; 9.208
90; 117.11; 90
870.4Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena
2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism
Acta Crystallographica Section C, 2008, 64, o574-o577
2016816 CIF
HKL
Paper
C28 H26 Cu2 N6 O14C 1 2/c 113.815; 12.109; 18.787
90; 106.55; 90
3013Yin, Hua
The new three-dimensional supramolecule bis{μ-2-[(4-hydroxybenzoyl)hydrazonomethyl]phenolato}bis[aquacopper(II)] dinitrate
Acta Crystallographica Section C, 2008, 64, m324-m326
2016815 CIF
HKL
Paper
C33 H26 N2 O2P -110.9251; 11.777; 11.9438
90.417; 112.616; 112.75
1286.1Rodríguez, Ricuarte; Nogueras, Manuel; Low, John N.; Cobo, Justo; Glidewell, Christopher
(1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,5<i>SR</i>)-2-Benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol at 120K: complex sheets built from C—H···O and C—H···N hydrogen bonds
Acta Crystallographica Section C, 2008, 64, o578-o582
2016814 CIF
HKL
Paper
C29 H38 Cu N8 O8P -112.2286; 12.4976; 12.951
103.759; 98.726; 118.767
1600.8Dai, Yu-Mei; Tang, En; Huang, Jin-Feng; Yang, Qiu-Yan
Poly[[sesqui[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')copper(II)] 1,4-bis(imidazol-1-ylmethyl)benzene hemisolvate pentahydrate]
Acta Crystallographica Section C, 2008, 64, m349-m352
2016813 CIF
HKL
Paper
C17 H20 O5P n a 2123.2847; 12.1184; 5.5709
90; 90; 90
1571.96Langer, Vratislav; Li, Shiming; Lundquist, Knut
Conformation of 1-aryl-2-aryloxy-1-propanols: <i>threo</i>-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol
Acta Crystallographica Section C, 2008, 64, o558-o560
2016812 CIF
HKL
Paper
C26 H26 Co N4 O10P 1 21 17.0484; 19.4249; 10.3331
90; 109.774; 90
1331.33Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Necefoglu, Hacali
<i>trans</i>-Diaquabis(nicotinamide-κ<i>N</i>)bis(salicylato-κ<i>O</i>)cobalt(II)
Acta Crystallographica Section C, 2008, 64, m317-m320
2016811 CIF
HKL
Paper
C78 H116 N4 O12 Rh2P 1 21/c 110.509; 33.708; 11.967
90; 111.388; 90
3947.2André, Vânia; Duarte, M. Teresa; Trindade, Alexandre F.; Góis, Pedro M. P.; Afonso, Carlos A. M.
Tetra-μ-acetato-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]rhodium(II)}(<i>Rh</i>—<i>Rh</i>) tetrahydrofuran tetrasolvate
Acta Crystallographica Section C, 2008, 64, m345-m348
2016810 CIF
HKL
Paper
C18 H14 Cl N O2C 1 2/c 136.228; 7.372; 11.214
90; 99.7; 90
2952Rizvi, Umar Farooq; Siddiqui, Hamid Latif; Ahmad, Saeed; Ahmad, Matloob; Parvez, Masood
Novel chalcones derived from 2-chloro-3-formyl-6-methylquinoline
Acta Crystallographica Section C, 2008, 64, o547-o549
2016809 CIF
HKL
Paper
C17 H11 Cl I N O SP 1 21/c 117.112; 7.636; 13.174
90; 111.29; 90
1603.9Rizvi, Umar Farooq; Siddiqui, Hamid Latif; Ahmad, Saeed; Ahmad, Matloob; Parvez, Masood
Novel chalcones derived from 2-chloro-3-formyl-6-methylquinoline
Acta Crystallographica Section C, 2008, 64, o547-o549
2016808 CIF
HKL
Paper
C14 H10 Cl2 N4 O4P 1 21/n 13.753; 18.3915; 10.7248
90; 94.103; 90
738.36Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2/1) and 1,4-diazine‒chloranilic acid (2/1) determined at 110 K
Acta Crystallographica Section C, 2008, 64, o550-o553
2016807 CIF
HKL
Paper
C14 H10 Cl2 N4 O4P 1 21/c 13.7294; 20.095; 9.6217
90; 98.8484; 90
712.49Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2/1) and 1,4-diazine‒chloranilic acid (2/1) determined at 110 K
Acta Crystallographica Section C, 2008, 64, o550-o553
2016806 CIF
HKL
Paper
C8 H12 N O5 PP 1 21/c 14.6733; 10.5962; 21.1801
90; 93.631; 90
1046.72Cinčić, Dominik; Kaitner, Branko
3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions
Acta Crystallographica Section C, 2008, 64, o561-o565
2016805 CIF
HKL
Paper
C8 H10 N2 O4P n m a16.7754; 6.6044; 8.2683
90; 90; 90
916.06Cinčić, Dominik; Kaitner, Branko
3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions
Acta Crystallographica Section C, 2008, 64, o561-o565
2016804 CIF
HKL
Paper
C8 H10 Br N OP -15.053; 9.4145; 9.5169
75.239; 89.253; 75.757
423.74Cinčić, Dominik; Kaitner, Branko
3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions
Acta Crystallographica Section C, 2008, 64, o561-o565
2016803 CIF
HKL
Paper
C16 H9 Cu2 N2 O5P 1 21/n 15.2011; 23.5553; 12.2402
90; 101.719; 90
1468.33Wang, Xiu-Yan; Wang, Jia-Jun
A mixed-valence copper coordination polymer generated by a hydrothermal metal/ligand redox reaction process
Acta Crystallographica Section C, 2008, 64, m330-m332
2016802 CIF
HKL
Paper
C42 H26 Cd2 Cl2 N8 O4P -110.069; 10.48; 10.749
88.59; 63.2; 73.59
964.2Kong, Zhi-Guo; Wang, Jia-Jun; Wang, Xiu-Yan
<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-μ-chlorido-[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-μ-fumarato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]: a coordination polymer with a two-dimensional supramolecular architecture
Acta Crystallographica Section C, 2008, 64, m333-m335
2016801 CIF
HKL
Paper
C9 H6 N12 S4 Zn4R 3 m :H13.9947; 13.9947; 8.4249
90; 90; 120
1428.97Park, Hyunsoo; Geiser, Urs; Halder, Gregory J.; Schlueter, John A.
Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]: a three-dimensional zinc sulfide coordination polymer
Acta Crystallographica Section C, 2008, 64, m327-m329
2016800 CIF
HKL
Paper
C26 H28 Cl2 Cu2 N6P -18.122; 8.412; 9.24
91.973; 93.386; 92.464
629.2Li, Rongqing; Zhao, Pusu; Tang, Guodong; Tang, Xiaoling
Di-μ-chlorido-bis({2-[1-(2-pyridylethylimino)ethyl]pyrrolato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II))
Acta Crystallographica Section C, 2008, 64, m339-m341
2016799 CIF
HKL
Paper
C24 H26 O4P b c a11.6394; 11.5736; 30.782
90; 90; 90
4146.6Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione: molecular conformation and supramolecular aggregation in xanthenediones
Acta Crystallographica Section C, 2008, 64, o554-o557
2016798 CIF
HKL
Paper
C6 H13 NP 1 21/n 111.0201; 10.3027; 12.7322
90; 114.11; 90
1319.5Bond, Andrew D.; Davies, John E.; Parsons, Simon
Azetidine, pyrrolidine and hexamethyleneimine at 170K
Acta Crystallographica Section C, 2008, 64, o543-o546
2016797 CIF
HKL
Paper
C4 H9 NP 1 21/c 18.6753; 5.2078; 10.7108
90; 110.451; 90
453.41Bond, Andrew D.; Davies, John E.; Parsons, Simon
Azetidine, pyrrolidine and hexamethyleneimine at 170K
Acta Crystallographica Section C, 2008, 64, o543-o546
2016796 CIF
HKL
Paper
C3 H7 NP 1 21/c 19.507; 9.122; 9.79
90; 117.469; 90
753.3Bond, Andrew D.; Davies, John E.; Parsons, Simon
Azetidine, pyrrolidine and hexamethyleneimine at 170K
Acta Crystallographica Section C, 2008, 64, o543-o546
2016795 CIF
HKL
Paper
C15 H17 N7 O7P -16.7154; 7.4036; 19.228
85.525; 87.576; 67.279
879Sridhar, Balasubramanian; Ravikumar, Krishnan
Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate
Acta Crystallographica Section C, 2008, 64, o566-o569
2016794 CIF
HKL
Paper
C8 H11 N3 O5C 1 2/c 115.666; 6.6959; 18.726
90; 100.48; 90
1931.6Sridhar, Balasubramanian; Ravikumar, Krishnan
Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate
Acta Crystallographica Section C, 2008, 64, o566-o569
2016793 CIF
HKL
Paper
C28 H38 Nb2 Se3C 1 2/c 131.583; 7.9548; 26.52
90; 121.29; 90
5694Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
[{Cp~2~(^<i>t^</i>BuSe)Nb}~2~<i>E</i>] (<i>E</i> = O and Se) with bridging oxide or selenide ligands
Acta Crystallographica Section C, 2008, 64, m321-m323
2016792 CIF
HKL
Paper
C35 H46 Nb2 O Se2P 1 21/n 18.0288; 12.7685; 15.873
90; 92.848; 90
1625.2Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
[{Cp~2~(^<i>t^</i>BuSe)Nb}~2~<i>E</i>] (<i>E</i> = O and Se) with bridging oxide or selenide ligands
Acta Crystallographica Section C, 2008, 64, m321-m323
2016791 CIF
HKL
Paper
C6 H18 I2 N2P 1 21/c 14.8884; 12.8756; 9.7488
90; 90.423; 90
613.58Blerk, Charmaine van; Kruger, Gert J.
Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine
Acta Crystallographica Section C, 2008, 64, o537-o542
2016790 CIF
HKL
Paper
C6 H18 Br2 N2P 1 21/c 14.7044; 14.4462; 16.2582
90; 90.115; 90
1104.92Blerk, Charmaine van; Kruger, Gert J.
Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine
Acta Crystallographica Section C, 2008, 64, o537-o542
2016789 CIF
HKL
Paper
C6 H18 Cl2 N2P 1 21/c 14.6042; 14.157; 15.6614
90; 89.327; 90
1020.77Blerk, Charmaine van; Kruger, Gert J.
Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine
Acta Crystallographica Section C, 2008, 64, o537-o542
2016788 CIF
HKL
Paper
C20 H28 Cd2 N4 O18P 1 21/c 110.572; 17.755; 7.39
90; 105.374; 90
1337.5Guo, Ming-Lin; Guo, Chen-Hu
Poly[[tetraaquabis(μ~2~-2-nitroterephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-piperazine-κ^3^<i>N</i>:<i>N</i>')dicadmium(II)] dihydrate]
Acta Crystallographica Section C, 2008, 64, m342-m344

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