Crystallography Open Database

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2016618 CIF
HKL
Paper
C62 H62 Br4 Cl2 N4 O4P 1 21/c 118.8426; 17.1996; 18.0722
90; 97.08; 90
5812.3Bhyrappa, P.; Arunkumar, C.; Varghese, B.
2,3,12,13-Tetrabromo-5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin 1,2-dichloroethane solvate
Acta Crystallographica Section C, 2008, 64, o276-o278
2016619 CIF
HKL
Paper
C45 H31 B2 Co F8 N9 O2C 1 c 113.304; 12.125; 27.3
90; 110.761; 90
4118Yu, Zhong; Nabei, Atsuhiro; Izumi, Takafumi; Okubo, Takashi; Kuroda-Sowa, Takayoshi
Cobalt(II) and cobalt(III) complexes with 4'-(4-cyanophenyl)-2,2':6',2''-terpyridine
Acta Crystallographica Section C, 2008, 64, m209-m212
2016620 CIF
HKL
Paper
C91 H65 B6 Co2 F24 N19 O6C 1 2/c 137.8; 10.748; 22.99
90; 102.388; 90
9123Yu, Zhong; Nabei, Atsuhiro; Izumi, Takafumi; Okubo, Takashi; Kuroda-Sowa, Takayoshi
Cobalt(II) and cobalt(III) complexes with 4'-(4-cyanophenyl)-2,2':6',2''-terpyridine
Acta Crystallographica Section C, 2008, 64, m209-m212
2016621 CIF
Paper
C20 H33 N O7P -16.542; 9.324; 17.631
77.594; 84; 89.39
1044.5Venu, Nalivela; Sreekanth, Bukkapattanam R.; Ram, Thaimattam; Devarakonda, Surya
Desvenlafaxine succinate monohydrate
Acta Crystallographica Section C, 2008, 64, o290-o292
2016622 CIF
HKL
Paper
C21 H30 O6 S8P 1 21/n 16.8227; 19.7775; 20.3661
90; 94.905; 90
2738.1Brooks, Andrew C.; Day, Peter; Wallis, John D.
3,4-[2,2-Bis(methoxyethoxymethoxymethyl)propylenedithio]-3',4'-(ethylenedithio)tetrathiafulvalene: a spiro-substituted BEDT–TTF analogue
Acta Crystallographica Section C, 2008, 64, o245-o247
2016623 CIF
HKL
Paper
C6 H8 B K N4C m c 2117.167; 5.843; 8.754
90; 90; 90
878.1Loroño-Gonzalez, D. J.
Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate–magnesium(I) compounds obtained by disproportionation of the Grignard reagent
Acta Crystallographica Section C, 2008, 64, m228-m232
2016624 CIF
HKL
Paper
C24 H40 B2 Cl2 Mg2 N8 O3P 1 21/n 115.119; 13.862; 15.453
90; 99.319; 90
3195.9Loroño-Gonzalez, D. J.
Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate–magnesium(I) compounds obtained by disproportionation of the Grignard reagent
Acta Crystallographica Section C, 2008, 64, m228-m232
2016625 CIF
HKL
Paper
C16 H24 B2 Mg N8 OP -19.951; 10.741; 20.996
99.137; 97.41; 107.909
2070.2Loroño-Gonzalez, D. J.
Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate–magnesium(I) compounds obtained by disproportionation of the Grignard reagent
Acta Crystallographica Section C, 2008, 64, m228-m232
2016626 CIF
HKL
Paper
C20 H32 B2 Mg N8 O2P -19.4171; 10.936; 13.013
94.069; 109.329; 105.568
1199.2Loroño-Gonzalez, D. J.
Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate–magnesium(I) compounds obtained by disproportionation of the Grignard reagent
Acta Crystallographica Section C, 2008, 64, m228-m232
2016627 CIF
Paper
C8 H16 N2 O8 S2P -15.2779; 6.6526; 10.4424
86.84; 76.844; 70.097
335.6Drebushchak, Tatiana N.; Bizyaev, Sergey N.; Boldyreva, Elena V.
Bis(<small>DL</small>-cysteinium) oxalate
Acta Crystallographica Section C, 2008, 64, o313-o315
2016628 CIF
HKL
Paper
C54 H45 Cl Cu P3C 1 2/c 143.253; 9.9863; 44.354
90; 113.496; 90
17570Machado, Aline; Manzoni de Oliveira, Gelson N.; Fenner, Herton; Burrow, Robert A.
A centrosymmetric polymorph of chloridotris(triphenylphosphine-κ<i>P</i>)copper(I) at 150K
Acta Crystallographica Section C, 2008, 64, m233-m236
2016629 CIF
HKL
Paper
C32 H74 Na2 O10 S2 Si2P 1 21/c 115.5007; 17.4385; 17.2438
90; 91.003; 90
4660.4Chojnacki, Jaroslaw; Ciborska, Anna; Wojnowski, Wieslaw
A study of chirality in bis(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')sodium bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)sodate
Acta Crystallographica Section C, 2008, 64, m240-m242
2016630 CIF
HKL
Paper
C13 H17 N5 O2 SP 1 21/n 19.3257; 16.7918; 9.86
90; 110.693; 90
1444.42Haddow, Mairi F.; Gelbrich, Thomas; Griesser, Ulrich J.
Similar sulfonamides with different crystal structures: sulfasymazine and sulfatriazine
Acta Crystallographica Section C, 2008, 64, o309-o312
2016631 CIF
HKL
Paper
C11 H13 N5 O4 SP -18.1566; 8.6577; 10.541
97.18; 103.374; 109.255
667.06Haddow, Mairi F.; Gelbrich, Thomas; Griesser, Ulrich J.
Similar sulfonamides with different crystal structures: sulfasymazine and sulfatriazine
Acta Crystallographica Section C, 2008, 64, o309-o312
2016632 CIF
HKL
Paper
C42 H34 Cl5 Cu3 F4 N6P 1 21/c 118.4646; 9.093; 28.0986
90; 112.774; 90
4349.9Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir
Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';3κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-di-μ-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>;2:3κ^2^<i>Cl</i>:<i>Cl</i>-trichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>,3κ<i>Cl</i>-2-copper(I)-1,3-dicopper(II)
Acta Crystallographica Section C, 2008, 64, m224-m227
2016633 CIF
HKL
Paper
C2 H7 Cl N4 O4 SP -15.8011; 8.4511; 9.43
109.15; 91.441; 104.639
419.59Janczak, Jan; Perpétuo, Genivaldo Julio
Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate
Acta Crystallographica Section C, 2008, 64, o330-o334
2016634 CIF
HKL
Paper
C2 H8 N4 O4 S2P -17.8371; 8.103; 8.104
60.88; 65.99; 87.54
402.86Janczak, Jan; Perpétuo, Genivaldo Julio
Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate
Acta Crystallographica Section C, 2008, 64, o330-o334
2016635 CIF
HKL
Paper
C2 H9 N4 O4 P SP -14.5229; 8.3241; 11.574
88.16; 86.191; 87.359
434.14Janczak, Jan; Perpétuo, Genivaldo Julio
Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate
Acta Crystallographica Section C, 2008, 64, o330-o334
2016636 CIF
HKL
Paper
C2 H9 As N4 O4 SP -14.725; 8.4071; 11.3841
89.402; 86.84; 88.871
451.42Janczak, Jan; Perpétuo, Genivaldo Julio
Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate
Acta Crystallographica Section C, 2008, 64, o330-o334
2016637 CIF
HKL
Paper
C8 H10 N2 O4P 1 21/c 120.37; 3.7506; 24.07
90; 94.873; 90
1832.3Loureiro, Rui M. S.; Johnstone, Robert A. W.; Labat, Gaël
Hydrogen-bond patterns in the congruent complex 4-nitrophenol–acetamide (1/1)
Acta Crystallographica Section C, 2008, 64, o306-o308
2016638 CIF
HKL
Paper
C14 H12 Cu N6 Ni O2C 1 2/c 115.158; 14.8108; 7.4512
90; 111.892; 90
1552.2Sereda, Olha; Stoeckli-Evans, Helen
Poly[diaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)bis(cyanido-κ<i>C</i>)nickel(II)copper(II)]: a metal‒organic cyanide-bridged framework
Acta Crystallographica Section C, 2008, 64, m221-m223
2016639 CIF
HKL
Paper
C38 H31 F15 N8 O3P n m a6.9565; 41.727; 13.4827
90; 90; 90
3913.7Domasevitch, Konstantin V.
3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)
Acta Crystallographica Section C, 2008, 64, o326-o329
2016640 CIF
HKL
Paper
C36 H28 Br4 O12 S4P -110.4298; 13.96; 14.701
82.296; 84.921; 74.872
2044.4Xu, Wei-Na; Yuan, Jiu-Mao; Liu, Yang; Ma, Jian-Ping; Guo, Dian-Shun
1,3-Alternate and partial cone conformers of tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate and tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate
Acta Crystallographica Section C, 2008, 64, o349-o352
2016641 CIF
HKL
Paper
C52 H64 O12 S4C 1 2/c 123.06; 13.547; 20.083
90; 122.89; 90
5268.2Xu, Wei-Na; Yuan, Jiu-Mao; Liu, Yang; Ma, Jian-Ping; Guo, Dian-Shun
1,3-Alternate and partial cone conformers of tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate and tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate
Acta Crystallographica Section C, 2008, 64, o349-o352
2016642 CIF
HKL
Paper
C9 H6 I NP 1 21/n 114.1973; 4.3526; 14.9151
90; 115.484; 90
832.01Singh, Latika; Mobin, Shaikh M.; Talwar, Satya S.
4-Iodoquinoline
Acta Crystallographica Section C, 2008, 64, o316-o318
2016643 CIF
HKL
Paper
C10 H11 NP b c a18.326; 10.3875; 8.2618
90; 90; 90
1572.7Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa
5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole: the first example of a planar monosubstituted 1-pyrroline
Acta Crystallographica Section C, 2008, 64, o303-o305
2016644 CIF
HKL
Paper
C5 H9 N O6 SP 21 21 217.0529; 10.2407; 12.1199
90; 90; 90
875.4Minkov, Vasil S.; Boldyreva, Elena V.
<small>L</small>-Cysteinium semioxalate
Acta Crystallographica Section C, 2008, 64, o344-o348
2016645 CIF
HKL
Paper
C12 H12 N2 O4P -17.2649; 8.9459; 9.6844
75.406; 72.731; 77.966
575.52Meng, Xiang-Gao; Lin, Zhi-Dong; Li, Ai-Min
Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate
Acta Crystallographica Section C, 2008, 64, o322-o325
2016646 CIF
HKL
Paper
C16 H18 N4 O4P 1 21/c 110.7759; 7.5608; 10.3254
90; 103.454; 90
818.17Meng, Xiang-Gao; Lin, Zhi-Dong; Li, Ai-Min
Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate
Acta Crystallographica Section C, 2008, 64, o322-o325
2016647 CIF
HKL
Paper
C12 H9 F N2 OP 1 21/c 15.7537; 11.2421; 15.1672
90; 94.188; 90
978.45Donnelly, Katie; Gallagher, John F.; Lough, Alan J.
Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides
Acta Crystallographica Section C, 2008, 64, o335-o340
2016648 CIF
HKL
Paper
C12 H9 F N2 OP 1 21/c 15.9832; 11.1508; 14.8921
90; 94.986; 90
989.8Donnelly, Katie; Gallagher, John F.; Lough, Alan J.
Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides
Acta Crystallographica Section C, 2008, 64, o335-o340
2016649 CIF
Paper
C12 H9 F N2 OP 1 21/c 15.6506; 11.3882; 15.4314
90; 95.602; 90
988.27Donnelly, Katie; Gallagher, John F.; Lough, Alan J.
Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides
Acta Crystallographica Section C, 2008, 64, o335-o340
2016650 CIF
HKL
Paper
C20 H13 Cl N4 O4C 1 2/c 123.943; 13.445; 12.336
90; 118.594; 90
3486.8Trilleras, Jorge; Quiroga, Jairo; Low, John N.; Cobo, Justo; Glidewell, Christopher
2-(4-Chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-<i>a</i>]pyrimidine-3,6-dicarbaldehyde: a chain of rings built from N—H···O and C—H···O hydrogen bonds
Acta Crystallographica Section C, 2008, 64, o341-o343
2016651 CIF
HKL
Paper
C18 H18 O4P 1 21/c 112.6503; 17.177; 7.1379
90; 105.009; 90
1498.11Dacunha-Marinho, Bruno; Martínez, Ana; Estévez, Ramón J.
7-Hydroxy-5-methoxy-6,8-dimethylflavanone: a natural flavonoid
Acta Crystallographica Section C, 2008, 64, o353-o356
2016652 CIF
HKL
Paper
C11 H24 Co Li2 N2 O13P 1 21 17.8767; 12.7381; 9.344
90; 90.756; 90
937.44Rychlewska, Urszula; Warżajtis, Beata; Djuran, Miloš I.; Radanović, Dušanka D.; Dimitrijević, Mirjana Dj.; Rajković, Snežana
Coordination behaviour and two-dimensional-network formation in poly[[μ-aqua-diaqua(μ~5~-propane-1,3-diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]: the first example of an <i>M</i>^II^‒1,3-pdta complex with a monovalent metal counter-ion
Acta Crystallographica Section C, 2008, 64, m217-m220
2016653 CIF
HKL
Paper
C26 H32 Fe N4 O7P -111.234; 11.576; 11.834
72.74; 75.67; 68.91
1354Bauer, Wolfgang; Weber, Birgit
Magnetism and crystal structure of an N~3~O~3~-coordinated iron(II) complex
Acta Crystallographica Section C, 2008, 64, m237-m239
2016654 CIF
HKL
Paper
C20 H30 O3P -18.6898; 9.2312; 12.3633
72.377; 73.574; 67.681
858.41García, Luis Arturo; Bernès, Sylvain; Anaya de Parrodi, Cecilia
<i>rac</i>-9-Ethyl-12a-hydroxytetradecahydrotriphenylene-1,5(2<i>H</i>,4b<i>H</i>)-dione: stabilization of a new isomer of a functionalized perhydrotriphenylene through a tandem Michael addition–aldol reaction
Acta Crystallographica Section C, 2008, 64, o319-o321
2016655 CIF
HKL
Paper
C10 H14 O5P 1 21/n 111.362; 7.5474; 13.029
90; 90.8; 90
1117.2Hachuła, Barbara; Nowak, Maria; Kusz, Joachim
Hydrogen-bonding interactions in (3,4-dimethoxyphenyl)acetic acid monohydrate
Acta Crystallographica Section C, 2008, 64, o357-o360
2016656 CIF
HKL
Paper
C25 H25 O4 PP -19.8033; 10.4492; 11.2169
100.573; 94.878; 102.446
1093.64Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo
Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate
Acta Crystallographica Section C, 2008, 64, o405-o410
2016657 CIF
HKL
Paper
C26 H27 O4 PP 1 21/c 112.5175; 9.1555; 20.351
90; 96.342; 90
2318Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo
Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate
Acta Crystallographica Section C, 2008, 64, o405-o410
2016658 CIF
HKL
Paper
C26 H27 O4 PP 1 21/n 19.814; 15.889; 15.404
90; 90.413; 90
2402Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo
Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate
Acta Crystallographica Section C, 2008, 64, o405-o410
2016659 CIF
HKL
Paper
C27 H29 O4 PP -18.9616; 10.3589; 14.5644
97.388; 107.705; 105.338
1209.55Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo
Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate
Acta Crystallographica Section C, 2008, 64, o405-o410
2016660 CIF
HKL
Paper
C42 H28 Cu N6 O8 S2P b c a14.8903; 13.9907; 17.1961
90; 90; 90
3582.4Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun
Two novel mixed-ligand complexes containing organosulfonate ligands
Acta Crystallographica Section C, 2008, 64, m250-m253
2016661 CIF
HKL
Paper
C20 H24 Cd N2 O10 S2P 1 21/c 19.2553; 15.6133; 8.1857
90; 106.305; 90
1135.31Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun
Two novel mixed-ligand complexes containing organosulfonate ligands
Acta Crystallographica Section C, 2008, 64, m250-m253
2016662 CIF
Paper
B5 Na3 O10 SrP -17.277; 7.601; 9.728
81.062; 70.538; 61.636
446.4Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong
The new pentaborate Na~3~SrB~5~O~10~
Acta Crystallographica Section C, 2008, 64, i53-i56
2016663 CIF
Paper
B5 Na3 O10 SrP -17.279; 7.601; 9.735
81.092; 70.565; 61.668
447.08Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong
The new pentaborate Na~3~SrB~5~O~10~
Acta Crystallographica Section C, 2008, 64, i53-i56
2016664 CIF
Paper
B5 Na3 O10 SrP -17.288; 7.611; 9.754
81.28; 70.72; 61.68
449.6Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong
The new pentaborate Na~3~SrB~5~O~10~
Acta Crystallographica Section C, 2008, 64, i53-i56
2016665 CIF
HKL
Paper
Cu O12 P2 Rb2 V2P 1 21/c 14.9292; 11.471; 9.481
90; 93.535; 90
535.06Yakubovich, Olga V.; Steele, Ian M.; Dimitrova, Olga V.
A new type of mixed anionic framework in microporous rubidium copper vanadyl(V) phosphate, Rb~2~Cu(VO~2~)~2~(PO~4~)~2~
Acta Crystallographica Section C, 2008, 64, i62-i65
2016666 CIF
HKL
Paper
C18 H20 Co N4 O6C 1 c 115.1641; 13.1653; 20.6761
90; 102.753; 90
4025.9Wei, Guo-Hua; Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Li, Shun-Li
A novel cobalt(II) coordination polymer with an unusual four-connected 4^2^.6^3^.8 topology
Acta Crystallographica Section C, 2008, 64, m267-m270
2016667 CIF
HKL
Paper
C29 H63 Co N3 O6 S2 Si2P -19.2498; 14.3; 16.0164
95.19; 96.805; 107.336
1990.3Dołega, Anna; Baranowska, Katarzyna; Pladzyk, Agnieszka; Majcher, Katarzyna
Two isomorphous Zn^II^/Co^II^ complexes with tri-<i>tert</i>-butoxysilanethiol and histamine, and (4-hydroxymethyl-1<i>H</i>-imidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)
Acta Crystallographica Section C, 2008, 64, m259-m263

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