Search results

Formula: - Cl2 H8 Mg O4 -
Comments: Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O Acta Crystallographica Section C 68(1) (2012) i4-i6
Space group: P b c n
Cell volume: 675.22
Cell parameters: 7.2557; 8.4285; 11.0412; 90; 90; 90;

COD ID: 2018340

Formula: - C100 H76 Ag4 N4 O8 P4 S8 -
Comments: Dennehy, Mariana; Freire, Eleonora; Baggio, Ricardo A triclinic polymorph of cyclo-tetra-μ-thiosaccharinato-κ^8^S:S-tetrakis[(triphenylphosphane-κP)silver(I)] Acta Crystallographica Section C 68(1) (2012) m17-m20
Space group: P -1
Cell volume: 2416.9
Cell parameters: 15.3566; 14.1309; 14.0768; 77.771; 123.88; 86.465;

COD ID: 2018341

Formula: - C20 H15 Cd I2 N O5 -
Comments: Liu, Dong; Li, Ni-Ya Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N'-tetrakis(4-iodobenzoato-κ^2^O,O')dicadmium] Acta Crystallographica Section C 68(1) (2012) m21-m23
Space group: C 1 2/c 1
Cell volume: 4387
Cell parameters: 29.236; 5.7289; 28.417; 90; 112.82; 90;

COD ID: 2018342

Formula: - C66 H46 -
Comments: Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A. 2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl Acta Crystallographica Section C 68(1) (2012) o23-o27
Space group: P 1 21/c 1
Cell volume: 4596.8
Cell parameters: 11.674; 33.336; 11.816; 90; 91.479; 90;

COD ID: 2018343

Formula: - C66 H42 F4 -
Comments: Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A. 2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl Acta Crystallographica Section C 68(1) (2012) o23-o27
Space group: P 1 21/n 1
Cell volume: 2329.9
Cell parameters: 19.7494; 6.1217; 20.4762; 90; 109.754; 90;

COD ID: 2018344

Formula: - C20 H18 N2 O2 S -
Comments: Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; O'Reilly, Beatriz; Andrade, Marcelo B. Probing the relationships between molecular conformation and intermolecular contacts in N,N-dibenzyl-N'-(furan-2-carbonyl)thiourea Acta Crystallographica Section C 68(1) (2012) o19-o22
Space group: P 1 21/c 1
Cell volume: 1834.72
Cell parameters: 10.0449; 7.5527; 24.3945; 90; 97.538; 90;

COD ID: 2018345

Formula: - C30 H23 Cu2 N7 O4 S6 -
Comments: Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W. The conformations of two copper(I) complexes of 1H-benzimidazole-2(3H)-thione and thiosaccharinate Acta Crystallographica Section C 68(1) (2012) m12-m16
Space group: P -1
Cell volume: 1675.21
Cell parameters: 8.0466; 13.815; 15.3621; 87.739; 89.48; 79.033;

COD ID: 2018346

Formula: - C35 H26 Cu2 N8 O4 S7 -
Comments: Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W. The conformations of two copper(I) complexes of 1H-benzimidazole-2(3H)-thione and thiosaccharinate Acta Crystallographica Section C 68(1) (2012) m12-m16
Space group: P 1 21/c 1
Cell volume: 4011
Cell parameters: 13.2395; 10.2731; 29.536; 90; 93.135; 90;

COD ID: 2018347

Formula: - C52 H40 Cl26 N4 -
Comments: Aparici Plaza, Luis; Chojnacki, Jaroslaw Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts Acta Crystallographica Section C 68(1) (2012) m24-m28
Space group: P -1
Cell volume: 3452.31
Cell parameters: 11.6031; 12.6132; 24.5118; 87.706; 82.025; 76.356;

COD ID: 2018348

Formula: - C44 H28 Cu N4 -
Comments: Aparici Plaza, Luis; Chojnacki, Jaroslaw Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts Acta Crystallographica Section C 68(1) (2012) m24-m28
Space group: P 1 21/n 1
Cell volume: 1611.4
Cell parameters: 14.5813; 8.6068; 14.6191; 90; 118.56; 90;

COD ID: 2018349

Formula: - C4 H4 Ca O4 -
Comments: Mazaj, Matjaz; Kaucic, Venceslav; Golobic, Amalija; Zabukovec Logar, Natasa A new layered Ca‒succinate coordination polymer Acta Crystallographica Section C 68(1) (2012) m4-m6
Space group: P 1 21/c 1
Cell volume: 1120.78
Cell parameters: 5.886; 11.2117; 17.0754; 90; 95.945; 90;

COD ID: 2018350

Formula: - Al8 Ca2 O15 Pb -
Comments: Artner, Christine; Weil, Matthias PbCa~2~[Al~8~O~15~] with a novel three-dimensional aluminate anion Acta Crystallographica Section C 68(1) (2012) i1-i3
Space group: P n m a
Cell volume: 1334.95
Cell parameters: 5.3702; 27.9903; 8.8811; 90; 90; 90;

COD ID: 2018351

Formula: - C11 H7 N O -
Comments: Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F. Benz[cd]indol-2(1H)-one at 298 and 100K Acta Crystallographica Section C 68(1) (2012) o1-o6
Space group: P 1 21/n 1
Cell volume: 829.5
Cell parameters: 9.251; 6.7748; 13.256; 90; 93.196; 90;

COD ID: 2018352

Formula: - C11 H7 N O -
Comments: Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F. Benz[cd]indol-2(1H)-one at 298 and 100K Acta Crystallographica Section C 68(1) (2012) o1-o6
Space group: P 1 21/n 1
Cell volume: 798.6
Cell parameters: 9.0551; 6.7287; 13.12; 90; 92.6; 90;

COD ID: 2018353

Formula: - C11 H7 N O -
Comments: Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F. Benz[cd]indol-2(1H)-one at 298 and 100K Acta Crystallographica Section C 68(1) (2012) o1-o6
Space group: P 1 21/n 1
Cell volume: 798.6
Cell parameters: 9.0551; 6.7287; 13.12; 90; 92.6; 90;

COD ID: 2018354

Formula: - C28 H38.68 Mn4 N4 O33.34 -
Comments: Mirzaei, M.; Lippolis, V.; Eshtiagh-Hosseini, H.; Mahjoobizadeh, M. Decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal‒organic framework based on a tetranuclear Mn^II^ complex of chelidamic acid and undecameric stitching water clusters Acta Crystallographica Section C 68(1) (2012) m7-m11
Space group: P -1
Cell volume: 1006.69
Cell parameters: 6.6765; 10.9615; 14.1513; 102.309; 95.097; 91.581;

COD ID: 2018355

Formula: - C27 H36 Au Cl N2 -
Comments: Linden, Anthony; de Haro, Teresa; Nevado, Cristina [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I) Acta Crystallographica Section C 68(1) (2012) m1-m3
Space group: P c c n
Cell volume: 2635.8
Cell parameters: 10.6655; 12.6641; 19.5145; 90; 90; 90;

COD ID: 2018356

Formula: - C9 H8 Cl N5 S -
Comments: Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine Acta Crystallographica Section C 68(1) (2012) o28-o32
Space group: P -1
Cell volume: 1039.45
Cell parameters: 7.5935; 10.8712; 12.8862; 95.794; 100.349; 92.125;

COD ID: 2018357

Formula: - C9 H9 Cl2 N5 S -
Comments: Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine Acta Crystallographica Section C 68(1) (2012) o28-o32
Space group: P 1 21/c 1
Cell volume: 1169.24
Cell parameters: 8.5321; 14.0679; 10.1266; 90; 105.856; 90;

COD ID: 2018358

Formula: - C12 H22 O10 -
Comments: Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S. Disorder and conformational analysis of methyl β-D-galactopyranosyl-(1ρightarrow 4)-β-D-xylopyranoside Acta Crystallographica Section C 68(1) (2012) o7-o11
Space group: P 21 21 21
Cell volume: 1463.5
Cell parameters: 13.7878; 22.892; 4.6367; 90; 90; 90;

COD ID: 2018359

Formula: - C20 H14 Cl N3 O -
Comments: Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded assembly in six closely related pyrazolo[3,4-b]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure Acta Crystallographica Section C 68(1) (2012) o12-o18
Space group: C 1 2/c 1
Cell volume: 3322.5
Cell parameters: 16.784; 9.638; 21.699; 90; 108.82; 90;

COD ID: 2018360

Formula: - C21 H16 Cl N3 O -
Comments: Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded assembly in six closely related pyrazolo[3,4-b]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure Acta Crystallographica Section C 68(1) (2012) o12-o18
Space group: P -1
Cell volume: 847.08
Cell parameters: 8.2898; 9.9191; 10.3666; 87.108; 86.808; 85.088;

COD ID: 2018361

Formula: - C20 H13 Cl2 N3 O -
Comments: Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded assembly in six closely related pyrazolo[3,4-b]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure Acta Crystallographica Section C 68(1) (2012) o12-o18
Space group: P b c n
Cell volume: 3391
Cell parameters: 20.868; 9.603; 16.924; 90; 90; 90;

COD ID: 2018362

Formula: - C20 H13 Br Cl N3 O -
Comments: Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded assembly in six closely related pyrazolo[3,4-b]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure Acta Crystallographica Section C 68(1) (2012) o12-o18
Space group: P -1
Cell volume: 867.61
Cell parameters: 9.3826; 9.7781; 10.1072; 108.077; 99.353; 90.911;

COD ID: 2018363

Formula: - C21 H16 Cl N3 O2 -
Comments: Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded assembly in six closely related pyrazolo[3,4-b]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure Acta Crystallographica Section C 68(1) (2012) o12-o18
Space group: P -1
Cell volume: 865.9
Cell parameters: 8.6972; 10.039; 10.09; 85.23; 80.856; 86.665;

COD ID: 2018364

Formula: - C20 H13 Cl N4 O3 -
Comments: Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded assembly in six closely related pyrazolo[3,4-b]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure Acta Crystallographica Section C 68(1) (2012) o12-o18
Space group: P 1 21/c 1
Cell volume: 1777
Cell parameters: 11.7839; 9.989; 15.71; 90; 106.084; 90;

COD ID: 2018365

Formula: - C12 H17 N O5 -
Comments: Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V. Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol Acta Crystallographica Section C 68(1) (2012) o33-o36
Space group: P -1
Cell volume: 660.25
Cell parameters: 7.3047; 8.466; 11.7559; 95.747; 103.926; 107.716;

COD ID: 2018366

Formula: - C12 H17 N O5 -
Comments: Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V. Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol Acta Crystallographica Section C 68(1) (2012) o33-o36
Space group: P 1 21/c 1
Cell volume: 1316.45
Cell parameters: 11.4951; 12.4787; 9.1986; 90; 93.886; 90;

COD ID: 2018367

Formula: - C14 H16 N2 O6 -
Comments: Arunadevi, N.; Devipriya, S.; Vairam, S. The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1) Acta Crystallographica Section C 68(2) (2012) o61-o64
Space group: P -1
Cell volume: 727.33
Cell parameters: 7.3434; 7.9884; 12.7593; 96.497; 92.783; 101.303;

COD ID: 2018368

Formula: - C22 H20 N2 O6 -
Comments: Arunadevi, N.; Devipriya, S.; Vairam, S. The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1) Acta Crystallographica Section C 68(2) (2012) o61-o64
Space group: P -1
Cell volume: 961.2
Cell parameters: 7.376; 7.915; 16.778; 89.248; 86.963; 100.609;

COD ID: 2018369
CIF file Original IUCr paper	Formula: - C38 H69 N O13 - Comments: Noguchi, Shuji; Miura, Keiko; Fujiki, Sadahiro; Iwao, Yasunori; Itai, Shigeru Clarithromycin form I determined by synchrotron X-ray powder diffraction Acta Crystallographica Section C 68(2) (2012) o41-o44 Space group: P 21 21 2 Cell volume: 4367.52 Cell parameters: 14.4531; 34.6885; 8.7114; 90; 90; 90;

COD ID: 2018370

Formula: - Fe Li O8 W2 -
Comments: Albino, Marjorie; Pechev, Stanislav; Veber, Philippe; Velazquez, Matias; Josse, Michael Cation ordering in the double tungstate LiFe(WO~4~)~2~ Acta Crystallographica Section C 68(2) (2012) i7-i8
Space group: C 1 2/c 1
Cell volume: 519.84
Cell parameters: 9.2884; 11.4181; 4.9018; 90; 90.597; 90;

COD ID: 2018371

Formula: - C19 H18 Fe N2 O3 -
Comments: Stevanović, Dragana; Pejović, Anka; Novaković, Sladjana B.; Bogdanović, Goran A.; Divjaković, Vladimir; Vukićević, Rastko D. A new polymorph of 1-ferrocenyl-3-(3-nitroanilino)propan-1-one Acta Crystallographica Section C 68(2) (2012) m37-m40
Space group: P -1
Cell volume: 851.55
Cell parameters: 7.6075; 10.1342; 11.9062; 73.805; 81.35; 75.891;

COD ID: 2018372

Formula: - C10 H14 Ca N2 O13 P4 -
Comments: Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^3^O:O':O''][μ~2~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^2^O:O']calcium(II)] Acta Crystallographica Section C 68(2) (2012) m41-m44
Space group: P 1 21/c 1
Cell volume: 1937.1
Cell parameters: 12.296; 13.054; 12.308; 90; 101.33; 90;

COD ID: 2018373

Formula: - C16 H22 Mg O8 -
Comments: Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth Magnesium, calcium and strontium salts of phenylacetic acid Acta Crystallographica Section C 68(2) (2012) m29-m33
Space group: P 21 21 21
Cell volume: 3547.3
Cell parameters: 9.7979; 10.0424; 36.052; 90; 90; 90;

COD ID: 2018374

Formula: - C16 H20 Ca O7 -
Comments: Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth Magnesium, calcium and strontium salts of phenylacetic acid Acta Crystallographica Section C 68(2) (2012) m29-m33
Space group: C 1 2/c 1
Cell volume: 3481.1
Cell parameters: 29.2249; 6.6941; 17.8109; 90; 92.52; 90;

COD ID: 2018375

Formula: - C16 H20 O7 Sr -
Comments: Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth Magnesium, calcium and strontium salts of phenylacetic acid Acta Crystallographica Section C 68(2) (2012) m29-m33
Space group: C 1 2/c 1
Cell volume: 3579.3
Cell parameters: 29.5111; 6.856; 17.7229; 90; 93.453; 90;

COD ID: 2018376

Formula: - C24 H29 Fe I N2 -
Comments: Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir 1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1H-imidazolidin-3-ium iodide and trans-bis(3-benzyl-1-ferrocenylmethyl-1H-imidazolidin-2-ylidene)diiodidopalladium(II) Acta Crystallographica Section C 68(2) (2012) m48-m52
Space group: P 1 21 1
Cell volume: 2229.9
Cell parameters: 10.6277; 7.4514; 28.293; 90; 95.603; 90;

COD ID: 2018377

Formula: - C42 H44 Fe2 I2 N4 Pd -
Comments: Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir 1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1H-imidazolidin-3-ium iodide and trans-bis(3-benzyl-1-ferrocenylmethyl-1H-imidazolidin-2-ylidene)diiodidopalladium(II) Acta Crystallographica Section C 68(2) (2012) m48-m52
Space group: P 1 21/n 1
Cell volume: 1968.4
Cell parameters: 9.5185; 11.7851; 17.569; 90; 92.835; 90;

COD ID: 2018378

Formula: - C6 H10 N O4 P -
Comments: Kaman, Ondřej; Smrčok, Ľubomír; Gyepes, Róbert; Havlíček, David Anilinium dihydrogen phosphate Acta Crystallographica Section C 68(2) (2012) o57-o60
Space group: P -1
Cell volume: 1243.71
Cell parameters: 8.804; 10.422; 14.089; 86.418; 75.889; 83.016;

COD ID: 2018379

Formula: - C4 H8 Cl6 O S -
Comments: Yufit, Dmitry S.; Howard, Judith A. K. Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane Acta Crystallographica Section C 68(2) (2012) o37-o40
Space group: P 1 21/n 1
Cell volume: 1243.07
Cell parameters: 5.9679; 9.0041; 23.1424; 90; 91.63; 90;

COD ID: 2018380

Formula: - C3 H8 Cl2 O S -
Comments: Yufit, Dmitry S.; Howard, Judith A. K. Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane Acta Crystallographica Section C 68(2) (2012) o37-o40
Space group: P -1
Cell volume: 369.13
Cell parameters: 6.68; 7.7862; 8.0017; 78.019; 80.008; 65.665;

COD ID: 2018381

Formula: - C18 H20 N2 O8 -
Comments: Staun, Selena L.; Oliver, Allen G. 4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate Acta Crystallographica Section C 68(2) (2012) o84-o87
Space group: P 1 21/c 1
Cell volume: 887.5
Cell parameters: 10.412; 11.994; 7.1077; 90; 90.743; 90;

COD ID: 2018382

Formula: - C18 H16 N2 O6 -
Comments: Staun, Selena L.; Oliver, Allen G. 4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate Acta Crystallographica Section C 68(2) (2012) o84-o87
Space group: P 1 21/c 1
Cell volume: 790.43
Cell parameters: 4.9245; 15.7128; 10.3256; 90; 98.386; 90;

COD ID: 2018383

Formula: - C23 H22 Cd N2 O4 -
Comments: Liu, Dong Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium] Acta Crystallographica Section C 68(2) (2012) m34-m36
Space group: P 1 21/c 1
Cell volume: 2064.6
Cell parameters: 10.022; 22.316; 10.316; 90; 116.51; 90;

COD ID: 2018384

Formula: - C20 H19 Cl2 N2 O2 P -
Comments: Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh The double H-atom acceptability of the P=O group in new XP(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [X = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NHR) group Acta Crystallographica Section C 68(2) (2012) o51-o56
Space group: P -1
Cell volume: 975.41
Cell parameters: 7.4673; 10.4338; 12.9911; 86.215; 79.611; 78.588;

COD ID: 2018385

Formula: - C16 H15 Cl2 F3 N3 O2 P -
Comments: Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh The double H-atom acceptability of the P=O group in new XP(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [X = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NHR) group Acta Crystallographica Section C 68(2) (2012) o51-o56
Space group: P -1
Cell volume: 905.9
Cell parameters: 4.886; 12.192; 15.838; 103.714; 94.636; 96.099;

COD ID: 2018386

Formula: - C12 H19 N O6 -
Comments: Belandria, Lusbely M.; Mora, Asiloé J.; Delgado, Gerzon E.; Briceño, Alexander 4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate Acta Crystallographica Section C 68(2) (2012) o88-o91
Space group: P 1 21/c 1
Cell volume: 1306.3
Cell parameters: 7.027; 20.776; 8.949; 90; 91.06; 90;

COD ID: 2018387

Formula: - C5 H6 N2 O4 -
Comments: Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael Conformational studies of hydantoin-5-acetic acid and orotic acid Acta Crystallographica Section C 68(2) (2012) o92-o98
Space group: P 21 21 21
Cell volume: 608.79
Cell parameters: 7.6148; 8.5592; 9.3406; 90; 90; 90;

COD ID: 2018388

Formula: - C7 H10 N2 O5 S -
Comments: Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael Conformational studies of hydantoin-5-acetic acid and orotic acid Acta Crystallographica Section C 68(2) (2012) o92-o98
Space group: P 1 21/c 1
Cell volume: 990.68
Cell parameters: 9.371; 5.9752; 17.8433; 90; 97.447; 90;

COD ID: 2018389

Formula: - C12 H15 N5 O8 -
Comments: Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael Conformational studies of hydantoin-5-acetic acid and orotic acid Acta Crystallographica Section C 68(2) (2012) o92-o98
Space group: P -1
Cell volume: 734.94
Cell parameters: 8.111; 8.9503; 11.6804; 112.366; 97.263; 104.621;

COD ID: 2018390

Formula: - C26 H37 N11 O16 -
Comments: Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael Conformational studies of hydantoin-5-acetic acid and orotic acid Acta Crystallographica Section C 68(2) (2012) o92-o98
Space group: P 1 21 1
Cell volume: 1626.5
Cell parameters: 7.0176; 18.026; 12.906; 90; 94.94; 90;

COD ID: 2018391

Formula: - C11 H17 N3 O3 -
Comments: Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J. Two polymorphs and the diethylammonium salt of the barbiturate eldoral Acta Crystallographica Section C 68(2) (2012) o65-o70
Space group: P 1 21/c 1
Cell volume: 1183.46
Cell parameters: 7.8761; 12.7102; 11.9438; 90; 98.189; 90;

COD ID: 2018392

Formula: - C11 H17 N3 O3 -
Comments: Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J. Two polymorphs and the diethylammonium salt of the barbiturate eldoral Acta Crystallographica Section C 68(2) (2012) o65-o70
Space group: P 1 21/n 1
Cell volume: 2387.68
Cell parameters: 11.9311; 15.9858; 13.0768; 90; 106.799; 90;

COD ID: 2018393

Formula: - C15 H28 N4 O3 -
Comments: Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J. Two polymorphs and the diethylammonium salt of the barbiturate eldoral Acta Crystallographica Section C 68(2) (2012) o65-o70
Space group: P b c a
Cell volume: 3572.33
Cell parameters: 11.827; 16.1719; 18.6774; 90; 90; 90;

COD ID: 2018394

Formula: - C2 H8 F N4 O4 P -
Comments: Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7) Acta Crystallographica Section C 68(2) (2012) o76-o83
Space group: C 1 c 1
Cell volume: 751.97
Cell parameters: 6.6567; 6.995; 16.2875; 90; 97.467; 90;

COD ID: 2018395

Formula: - C2 H8.24 F0.76 N4 O4 P -
Comments: Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7) Acta Crystallographica Section C 68(2) (2012) o76-o83
Space group: C 1 c 1
Cell volume: 748.04
Cell parameters: 6.6648; 6.9435; 16.2924; 90; 97.185; 90;

COD ID: 2018396

Formula: - C2 H8.885 F0.115 N4 O4 P -
Comments: Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7) Acta Crystallographica Section C 68(2) (2012) o76-o83
Space group: C 1 c 1
Cell volume: 732.75
Cell parameters: 6.67841; 6.78864; 16.2696; 90; 96.588; 90;

COD ID: 2018397

Formula: - C2 H8.816 F0.184 N4 O4 P -
Comments: Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7) Acta Crystallographica Section C 68(2) (2012) o76-o83
Space group: C 1 c 1
Cell volume: 735.17
Cell parameters: 6.67722; 6.8083; 16.2809; 90; 96.644; 90;

COD ID: 2018398

Formula: - C4 H18 F N8 O7 P -
Comments: Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate Acta Crystallographica Section C 68(2) (2012) o71-o75
Space group: P n m a
Cell volume: 1435.39
Cell parameters: 12.2788; 17.4866; 6.6851; 90; 90; 90;

COD ID: 2018399

Formula: - C4 H18 F N8 O7 P -
Comments: Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate Acta Crystallographica Section C 68(2) (2012) o71-o75
Space group: P b c a
Cell volume: 2847
Cell parameters: 6.5362; 16.6485; 26.1629; 90; 90; 90;

COD ID: 2018400

Formula: - C7 H8 Cl N O3 S -
Comments: Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U. 2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate Acta Crystallographica Section C 68(2) (2012) o45-o50
Space group: I 1 a 1
Cell volume: 874.67
Cell parameters: 4.9308; 32.364; 5.4922; 90; 93.654; 90;

COD ID: 2018401

Formula: - C12 H17 Cl N2 O4 S -
Comments: Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U. 2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate Acta Crystallographica Section C 68(2) (2012) o45-o50
Space group: P 1 21/m 1
Cell volume: 727.4
Cell parameters: 9.1917; 6.9457; 11.8265; 90; 105.538; 90;

COD ID: 2018402

Formula: - C9 H14 Cl N O4 S2 -
Comments: Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U. 2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate Acta Crystallographica Section C 68(2) (2012) o45-o50
Space group: P -1
Cell volume: 628.83
Cell parameters: 6.0394; 9.4441; 11.8044; 71.078; 89.466; 81.207;

COD ID: 2018403

Formula: - C24 H32 N6 O8 S2 -
Comments: Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U. 2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate Acta Crystallographica Section C 68(2) (2012) o45-o50
Space group: P b c a
Cell volume: 2698.5
Cell parameters: 13.6306; 12.698; 15.5907; 90; 90; 90;

COD ID: 2018404

Formula: - C6 H12 Cu5 N10 -
Comments: Jia, Li-Na; Hou, Lei Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido-κ^2^C,N)dicuprate(I)]]: a unique Cu^I^‒Cu^II^ mixed-valence complex containing anionic cuprous cyanide layers and [Cu(NH~3~)~4~]^2+^ cations Acta Crystallographica Section C 68(2) (2012) m45-m47
Space group: P 1 21/c 1
Cell volume: 756.61
Cell parameters: 7.6501; 8.9083; 13.2509; 90; 123.086; 90;

COD ID: 2018405
CIF file Original IUCr paper	Formula: - Bi1.62 In8.38 Pb5 S20 - Comments: Reis, I.; Krämer, V.; Seiler, A.; Topa, D.; Keller, E. Pb~5.0(1)~In~8.4(1)~Bi~1.6(1)~S~20~, a new quaternary lead indium bismuth sulfide Acta Crystallographica Section C 68(3) (2012) i12-i16 Space group: P 1 21/m 1 Cell volume: 1601.8 Cell parameters: 27.065; 3.8825; 15.683; 90; 103.59; 90;

COD ID: 2018406

Formula: - C17 H21 N3 O7 U -
Comments: Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav Bis(methanol-κO)dioxido[3,3'-(1H-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^O,N^4^,O']uranium(VI) methanol monosolvate Acta Crystallographica Section C 68(3) (2012) m61-m63
Space group: P b c a
Cell volume: 4025.3
Cell parameters: 11.0737; 18.0705; 20.1156; 90; 90; 90;

COD ID: 2018407

Formula: - C29 H34 Cl2 N2 O2 -
Comments: Brüning, Jürgen; Podgorski, Dragica; Alig, Edith; Bats, Jan W.; Schmidt, Martin U. Antidiarrhetic loperamide hydrochloride Acta Crystallographica Section C 68(3) (2012) o111-o113
Space group: P 1 21/c 1
Cell volume: 2627
Cell parameters: 16.6542; 12.2529; 13.141; 90; 101.577; 90;

COD ID: 2018408

Formula: - C35 H26 Cd4 N10 O15 -
Comments: Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang A novel three-dimensional Cd^II^ coordination polymer: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~-pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate] Acta Crystallographica Section C 68(3) (2012) m76-m79
Space group: P 1 21/n 1
Cell volume: 4032.4
Cell parameters: 15.574; 16.197; 16.928; 90; 109.21; 90;

COD ID: 2018409

Formula: - C4 H10 N2 O -
Comments: Döring, Cindy; Taouss, Christina; Jones, Peter G. Trimethylurea Acta Crystallographica Section C 68(3) (2012) o108-o110
Space group: C m c 21
Cell volume: 1666.44
Cell parameters: 20.5281; 8.1474; 9.9637; 90; 90; 90;

COD ID: 2018410

Formula: - C3 H5 Cd N O4 -
Comments: Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)] Acta Crystallographica Section C 68(3) (2012) m57-m60
Space group: R -3 :H
Cell volume: 2988.6
Cell parameters: 17.3662; 17.3662; 11.4425; 90; 90; 120;

COD ID: 2018411

Formula: - C11 H18 N2 -
Comments: Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen 2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1H-pyrrole and its amide derivative 1-{2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone Acta Crystallographica Section C 68(3) (2012) o119-o122
Space group: P -1
Cell volume: 1014.6
Cell parameters: 8.214; 11.0624; 12.1981; 94.242; 108.319; 102.609;

COD ID: 2018412

Formula: - C13 H20 N2 O -
Comments: Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen 2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1H-pyrrole and its amide derivative 1-{2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone Acta Crystallographica Section C 68(3) (2012) o119-o122
Space group: P -1
Cell volume: 594.15
Cell parameters: 7.0746; 8.1309; 11.125; 89.325; 88.878; 68.222;

COD ID: 2018413

Formula: - C48 H20 F19 N4 O3 P -
Comments: Pereira, Carla F.; Fernandes, José A.; Rodrigues, João M. M.; Vilela, Sérgio M. F.; Tomé, João P. C.; Almeida Paz, Filipe A. 5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20-tris(pentafluorophenyl)porphyrin Acta Crystallographica Section C 68(3) (2012) o104-o107
Space group: P 1 21/c 1
Cell volume: 4539.3
Cell parameters: 15.53; 11.2539; 26.375; 90; 100.024; 90;

COD ID: 2018414

Formula: - C15 H20 Cu N2 O4 -
Comments: Perdih, Franc (Pentane-2,4-dionato-κ^2^O,O')(pyridin-2-amine-κN^1^)copper(II) and (pentane-2,4-dionato-κ^2^O,O')(pyrimidin-2-amine-κN^1^)copper(II) Acta Crystallographica Section C 68(3) (2012) m64-m68
Space group: P 1 21/n 1
Cell volume: 1654.95
Cell parameters: 7.5686; 8.2944; 26.425; 90; 93.944; 90;

COD ID: 2018415

Formula: - C14 H19 Cu N3 O4 -
Comments: Perdih, Franc (Pentane-2,4-dionato-κ^2^O,O')(pyridin-2-amine-κN^1^)copper(II) and (pentane-2,4-dionato-κ^2^O,O')(pyrimidin-2-amine-κN^1^)copper(II) Acta Crystallographica Section C 68(3) (2012) m64-m68
Space group: P 1 21/n 1
Cell volume: 1621.1
Cell parameters: 7.5686; 8.3504; 25.6871; 90; 93.081; 90;

COD ID: 2018416

Formula: - C17 H26 La N5 O9 -
Comments: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo Poly[[diaquabis(μ~2~-crotonato-κ^3^O:O,O')(crotonato-κ^2^O,O')lanthanum(III)] adenine monosolvate monohydrate] Acta Crystallographica Section C 68(3) (2012) m53-m56
Space group: P -1
Cell volume: 1164
Cell parameters: 8.9484; 11.4743; 12.3985; 68.978; 84.418; 78.501;

COD ID: 2018417

Formula: - Ni3.17 Sn2.67 Zn0.67 -
Comments: Schmetterer, Clemens; Effenberger, Herta Silvia; Marker, Martin C. J.; Flandorfer, Hans Ni~5-{δ~}Sn~4~Zn (δσim 0.25) from single-crystal data Acta Crystallographica Section C 68(3) (2012) i9-i11
Space group: C m c m
Cell volume: 610
Cell parameters: 4.152; 12.603; 11.657; 90; 90; 90;

COD ID: 2018418

Formula: - C9 H14 Cl2 N6 O2 -
Comments: Bekö, Sándor L.; Urmann, David; Lakatos, Andrea; Glaubitz, Clemens; Schmidt, Martin U. Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR Acta Crystallographica Section C 68(3) (2012) o144-o148
Space group: P 1 21/c 1
Cell volume: 1374.05
Cell parameters: 5.25191; 12.2401; 21.4088; 90; 93.2353; 90;

COD ID: 2018419

Formula: - Co4 H60 Mo12 O64 -
Comments: Ellern, Arkady; Kögerler, Paul [Co^II^~4~Mo^V^~12~O~28~(OH)~12~(H~2~O)~12~]·12H~2~O: facilitating single-crystal growth by deuteration Acta Crystallographica Section C 68(3) (2012) i17-i19
Space group: P 1 21/m 1
Cell volume: 2650.6
Cell parameters: 12.061; 18.151; 12.129; 90; 93.403; 90;

COD ID: 2018420

Formula: - C H10 N2 O5 -
Comments: Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds Acta Crystallographica Section C 68(3) (2012) i20-i24
Space group: P 1 2/n 1
Cell volume: 562.45
Cell parameters: 7.5657; 9.9027; 7.5819; 90; 98.05; 90;

COD ID: 2018421

Formula: - C H6 Cs2 O9 -
Comments: Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds Acta Crystallographica Section C 68(3) (2012) i20-i24
Space group: P c c n
Cell volume: 1786.3
Cell parameters: 17.82; 5.9357; 16.888; 90; 90; 90;

COD ID: 2018422

Formula: - C9 H5 Mn O4 -
Comments: Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions Acta Crystallographica Section C 68(3) (2012) m69-m72
Space group: P 1 21/c 1
Cell volume: 872.74
Cell parameters: 7.9011; 11.4482; 12.4541; 90; 129.22; 90;

COD ID: 2018423

Formula: - C9 H5 O4 Re -
Comments: Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions Acta Crystallographica Section C 68(3) (2012) m69-m72
Space group: P 1 21/c 1
Cell volume: 905.63
Cell parameters: 8.0768; 11.5037; 12.3457; 90; 127.86; 90;

COD ID: 2018424

Formula: - C20 H15 Br Cl N O -
Comments: Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher (2RS,4SR)-7-Bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine: sheets built by the π-stacking of hydrogen-bonded chains Acta Crystallographica Section C 68(3) (2012) o123-o125
Space group: P 1 21/c 1
Cell volume: 1600.2
Cell parameters: 11.5083; 8.1027; 18.321; 90; 110.505; 90;

COD ID: 2018425

Formula: - C18 H25 Cl2 Mo2 N7 O5 -
Comments: Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A. A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1H-pyrazol-1-yl)methane Acta Crystallographica Section C 68(3) (2012) m73-m75
Space group: P b c m
Cell volume: 2538.7
Cell parameters: 8.6346; 21.6152; 13.6021; 90; 90; 90;

COD ID: 2018426

Formula: - C29 H57 Dy2 N5 O23 -
Comments: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue Acta Crystallographica Section C 68(3) (2012) m80-m84
Space group: P -1
Cell volume: 1096.2
Cell parameters: 10.614; 10.808; 11.338; 73.075; 83.958; 61.833;

COD ID: 2018427

Formula: - C29 H57 N5 O23 Sm2 -
Comments: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue Acta Crystallographica Section C 68(3) (2012) m80-m84
Space group: P -1
Cell volume: 1107.6
Cell parameters: 10.633; 10.847; 11.397; 73.126; 83.926; 61.784;

COD ID: 2018428

Formula: - C14 H12 N2 O4 -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P 1 21/c 1
Cell volume: 1235.42
Cell parameters: 7.2248; 18.1447; 9.4504; 90; 94.279; 90;

COD ID: 2018429

Formula: - C15 H15 F N2 O -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: C 1 2/c 1
Cell volume: 2469.4
Cell parameters: 27.141; 5.4082; 17.2849; 90; 103.275; 90;

COD ID: 2018430

Formula: - C15 H14 F N O2 -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P 1 21/c 1
Cell volume: 1222.5
Cell parameters: 5.5265; 10.6652; 20.905; 90; 97.166; 90;

COD ID: 2018431

Formula: - C15 H14 F N O S -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P 1 21/n 1
Cell volume: 1287.6
Cell parameters: 9.272; 10.9142; 12.963; 90; 101.023; 90;

COD ID: 2018432

Formula: - C15 H14 F N O S -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P 1 21/c 1
Cell volume: 1295.8
Cell parameters: 9.2106; 10.906; 13.4259; 90; 106.086; 90;

COD ID: 2018433

Formula: - C15 H14 Cl N O2 -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P 1 21/n 1
Cell volume: 1312
Cell parameters: 10.2835; 5.4829; 23.428; 90; 96.665; 90;

COD ID: 2018434

Formula: - C16 H14 F3 N O3 -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P -1
Cell volume: 719.8
Cell parameters: 5.5088; 10.7619; 13.1398; 110.011; 98.797; 92.271;

COD ID: 2018435

Formula: - C16 H14 F3 N O2 S -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P 1 21/c 1
Cell volume: 1458.2
Cell parameters: 16.234; 5.6113; 16.665; 90; 106.143; 90;

COD ID: 2018436

Formula: - C15 H11 F3 N2 O5 -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 68(3) (2012) o131-o140
Space group: P 1 21/c 1
Cell volume: 1470.2
Cell parameters: 20.412; 7.369; 10.035; 90; 103.091; 90;

COD ID: 2018437

Formula: - C17 H23 N3 O3 -
Comments: Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech 1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol-5(4H)-one Acta Crystallographica Section C 68(3) (2012) o141-o143
Space group: P 1 21/c 1
Cell volume: 1660.19
Cell parameters: 7.9622; 14.3492; 14.6469; 90; 97.21; 90;

COD ID: 2018438
CIF file Original IUCr paper	Formula: - C8 H9 N O2 - Comments: Mata, Ignasi; Molins, Elies; Amat, Mercedes; Llor, Núria; Checa, Begoña C—H···<i>X</i> (<i>X</i> = O, N or π) interactions in benzyl carbamate Acta Crystallographica Section C 68(3) (2012) o114-o118 Space group: P b c 21 Cell volume: 1581.9 Cell parameters: 10.037; 5.33; 29.57; 90; 90; 90;

COD ID: 2018439

Formula: - C10 H10 Cl2 N2 O S2 -
Comments: Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L. Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid Acta Crystallographica Section C 68(3) (2012) o99-o103
Space group: P 1 21 1
Cell volume: 1354.99
Cell parameters: 9.2225; 11.2741; 13.0892; 90; 95.367; 90;

COD ID: 2018440

Formula: - C22 H18 Cl2 N2 O S2 -
Comments: Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L. Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid Acta Crystallographica Section C 68(3) (2012) o99-o103
Space group: C 1 2/c 1
Cell volume: 4376.2
Cell parameters: 28.676; 10.3705; 14.7176; 90; 90.9; 90;

COD ID: 2018441

Formula: - C11 H12 Cl2 N2 O S2 -
Comments: Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L. Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid Acta Crystallographica Section C 68(3) (2012) o99-o103
Space group: P -1
Cell volume: 708.08
Cell parameters: 8.9307; 9.0858; 10.3873; 65.039; 69.172; 74.892;

COD ID: 2018442

Formula: - C11 H10 Cl2 N2 O S2 -
Comments: Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L. Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid Acta Crystallographica Section C 68(3) (2012) o99-o103
Space group: P 1 21/c 1
Cell volume: 1425.08
Cell parameters: 13.368; 8.1817; 13.5158; 90; 105.415; 90;

COD ID: 2018443

Formula: - C14 H15 N O S -
Comments: Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Chain formation by disordered, but correlated, hydrogen bonds in cis-(2RS,4SR)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol and cis-(2RS,4SR)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol Acta Crystallographica Section C 68(3) (2012) o126-o130
Space group: P -1
Cell volume: 1240.95
Cell parameters: 9.5677; 9.8798; 14.7183; 104.726; 104.033; 103.273;

COD ID: 2018444

Formula: - C15 H17 N O S -
Comments: Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Chain formation by disordered, but correlated, hydrogen bonds in cis-(2RS,4SR)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol and cis-(2RS,4SR)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol Acta Crystallographica Section C 68(3) (2012) o126-o130
Space group: P -1
Cell volume: 1350.27
Cell parameters: 9.6764; 10.6897; 14.4433; 72.018; 89.108; 72.494;

COD ID: 2018445

Formula: - C30 H26 Cu3 N4 O10 -
Comments: Zhang, Liangliang; Liu, Fuling; Yuan, Shuai; Wang, Xiaoyang; Sun, Di A one-dimensional coordination polymer based on a di-Schiff base supported trinuclear Cu^II^ subunit Acta Crystallographica Section C 68(4) (2012) m97-m99
Space group: P -1
Cell volume: 737.93
Cell parameters: 7.9019; 10.2333; 10.4441; 112.281; 95.373; 104.862;

COD ID: 2018446

Formula: - C24 H52 Br N -
Comments: Kelland, Malcolm A.; Thompson, Amber L. Alkyl-chain disorder in tetraisohexylammonium bromide Acta Crystallographica Section C 68(4) (2012) o152-o155
Space group: P 32 2 1
Cell volume: 4166.31
Cell parameters: 15.12762; 15.12762; 21.0223; 90; 90; 120;

COD ID: 2018447

Formula: - C24 H52 Br N -
Comments: Kelland, Malcolm A.; Thompson, Amber L. Alkyl-chain disorder in tetraisohexylammonium bromide Acta Crystallographica Section C 68(4) (2012) o152-o155
Space group: P 32 2 1
Cell volume: 4397.04
Cell parameters: 15.4995; 15.4995; 21.1346; 90; 90; 120;

COD ID: 2018448

Formula: - C24 H52 Br N -
Comments: Kelland, Malcolm A.; Thompson, Amber L. Alkyl-chain disorder in tetraisohexylammonium bromide Acta Crystallographica Section C 68(4) (2012) o152-o155
Space group: P 32 2 1
Cell volume: 4151.32
Cell parameters: 15.1327; 15.1327; 20.9326; 90; 90; 120;

COD ID: 2018449

Formula: - C26 H18 F8 O2 Rh2 -
Comments: García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J. Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)] Acta Crystallographica Section C 68(4) (2012) m113-m116
Space group: P n n a
Cell volume: 2244.6
Cell parameters: 25.7648; 10.8166; 8.0542; 90; 90; 90;

COD ID: 2018450

Formula: - C19 H20 N2 O4 Zn -
Comments: Zhang, Ming-Xing; Chen, Xin; Huang, Kun-Lin; Zhu, Yi; Yang, Shan-Shan Distinct chiral units from an axially prochiral ligand in a photoluminescent zinc(II)‒organic complex Acta Crystallographica Section C 68(4) (2012) m90-m93
Space group: P -1
Cell volume: 939.9
Cell parameters: 9.134; 9.694; 11.735; 80.602; 87.611; 66.518;

COD ID: 2018451

Formula: - C10 H26 N3 O P -
Comments: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal Two new XP(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with X = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O) Acta Crystallographica Section C 68(4) (2012) o164-o169
Space group: P 1 21 1
Cell volume: 4406.5
Cell parameters: 12.0615; 21.2567; 17.1877; 90; 90.529; 90;

COD ID: 2018452

Formula: - C16 H40 N4 O3 P2 -
Comments: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal Two new XP(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with X = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O) Acta Crystallographica Section C 68(4) (2012) o164-o169
Space group: P 1 21/c 1
Cell volume: 2412.51
Cell parameters: 11.3715; 17.7755; 13.6956; 90; 119.371; 90;

COD ID: 2018453

Formula: - C13 H14 O7 -
Comments: Landre, I. M. R.; Martins, F. T.; Ellena, J. A.; Dos Santos, M. H.; Doriguetto, A. C. Pseudopolymorphism in hydroxybenzophenones: the dihydrate of 2,2',4,4'-tetrahydroxybenzophenone Acta Crystallographica Section C 68(4) (2012) o156-o159
Space group: C 1 2/c 1
Cell volume: 1278.58
Cell parameters: 15.1394; 7.7629; 11.069; 90; 100.628; 90;

COD ID: 2018454

Formula: - C42 H36 Ce2 F36 O18 -
Comments: Fatila, Elisabeth M.; Jennings, Michael C.; Lough, Alan; Preuss, Kathryn E. (μ-1,2-Dimethoxyethane-κ^2^O:O')bis[(1,2-dimethoxyethane-κ^2^O,O')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato-κ^2^O,O')cerium(III)] Acta Crystallographica Section C 68(4) (2012) m100-m103
Space group: P 1 21/n 1
Cell volume: 3131.9
Cell parameters: 9.1135; 13.818; 24.971; 90; 95.16; 90;

COD ID: 2018455

Formula: - C12 H10 Br2 Sn -
Comments: Ye, Fei; Reuter, Hans Dibromodiphenylstannane: isolated centrosymmetric dimers as a new structure motif for the intermolecular association of diorganotin(IV) dihalides Acta Crystallographica Section C 68(4) (2012) m104-m108
Space group: P 1 21/c 1
Cell volume: 1317.71
Cell parameters: 8.9553; 8.7468; 17.0671; 90; 99.713; 90;

COD ID: 2018456

Formula: - C16 H9 Br N2 O2 -
Comments: Szalda, David J.; Ramig, Keith; Lavinda, Olga; Koren, Zvi C.; Massa, Lou 6-Bromoindigo dye Acta Crystallographica Section C 68(4) (2012) o160-o163
Space group: P 1 c 1
Cell volume: 641.8
Cell parameters: 12.347; 4.6558; 11.607; 90; 105.856; 90;

COD ID: 2018457

Formula: - C18 H22 O2 -
Comments: Bond, Marcus R.; Hathaway, Bruce A.; Kilgore, Uriah J. 4,4'-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols Acta Crystallographica Section C 68(4) (2012) o179-o182
Space group: P 1 21/c 1
Cell volume: 3248.58
Cell parameters: 8.472; 22.7966; 16.8592; 90; 93.886; 90;

COD ID: 2018458

Formula: - C15 H11 N3 O -
Comments: Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech 3,5-Diphenyl-1,2,4-triazin-6(1H)-one: synthesis, and X-ray and DFT-calculated structures Acta Crystallographica Section C 68(4) (2012) o149-o151
Space group: C 1 2/c 1
Cell volume: 2483.4
Cell parameters: 22.975; 5.5835; 21.55; 90; 116.06; 90;

COD ID: 2018459

Formula: - C26 H38 Cl N2 Na O12 -
Comments: de Castro, Rosane; da Matos, Carolina; Nascimento, Cláudia A. do; Oliveira, Cecília M. A.; Kato, Lucília; Lião, Luciano M.; Sabino, José R. Absolute configuration of strictosidinic acid Acta Crystallographica Section C 68(4) (2012) m94-m96
Space group: P 21 21 21
Cell volume: 2904.3
Cell parameters: 7.6419; 16.2205; 23.4299; 90; 90; 90;

COD ID: 2018460

Formula: - C23 H28 Cl2 N4 O5 -
Comments: Freire, Eleonora; Polla, Griselda; Baggio, Ricardo Aripiprazole salts. I. Aripiprazole nitrate Acta Crystallographica Section C 68(4) (2012) o170-o173
Space group: P b c a
Cell volume: 4689
Cell parameters: 8.4644; 19.8264; 27.9406; 90; 90; 90;

COD ID: 2018461

Formula: - C52 H28 Cl8 Cu2 N4 O12 -
Comments: Moncol, Ján; Jomová, Klaudia; Porubská, Mária Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid Acta Crystallographica Section C 68(4) (2012) m85-m89
Space group: P -1
Cell volume: 1264.44
Cell parameters: 9.2295; 11.6047; 12.9863; 102.423; 99.045; 106.753;

COD ID: 2018462

Formula: - C54 H38 Cl4 Cu2 N4 O13 -
Comments: Moncol, Ján; Jomová, Klaudia; Porubská, Mária Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid Acta Crystallographica Section C 68(4) (2012) m85-m89
Space group: P -1
Cell volume: 1238.39
Cell parameters: 7.9153; 11.1877; 15.0623; 72.456; 77.056; 83.897;

COD ID: 2018463

Formula: - C24 H28 N6 O4 -
Comments: Seela, Frank; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans A 2'-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit Acta Crystallographica Section C 68(4) (2012) o174-o178
Space group: P 1 21 1
Cell volume: 2302
Cell parameters: 12.525; 15.051; 12.719; 90; 106.241; 90;

COD ID: 2018464

Formula: - C14 H19 Cd2 Cl2 N O7 -
Comments: He, Xiyun; Lv, Jianyi; Xu, Guohai Poly[(μ~3~-benzene-1,4-dicarboxylato)di-μ-chlorido-(triethanolamine)dicadmium(II)]: a cadmium‒halide coordination polymer with a hydrogen-bonded three-dimensional framework Acta Crystallographica Section C 68(4) (2012) m109-m112
Space group: C 1 2/c 1
Cell volume: 3907
Cell parameters: 23.251; 8.907; 19.233; 90; 101.221; 90;

COD ID: 2018465

Formula: - C14 H19 N O2 -
Comments: Lemmerer, Andreas; Fernandes, Manuel A. Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks Acta Crystallographica Section C 68(5) (2012) o188-o194
Space group: P b c a
Cell volume: 2558.96
Cell parameters: 8.2523; 11.1475; 27.817; 90; 90; 90;

COD ID: 2018466

Formula: - C15 H21 N O2 -
Comments: Lemmerer, Andreas; Fernandes, Manuel A. Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks Acta Crystallographica Section C 68(5) (2012) o188-o194
Space group: P 1 21/n 1
Cell volume: 1385.72
Cell parameters: 13.4992; 6.4723; 16.7352; 90; 108.61; 90;

COD ID: 2018467

Formula: - C16 H23 N O2 -
Comments: Lemmerer, Andreas; Fernandes, Manuel A. Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks Acta Crystallographica Section C 68(5) (2012) o188-o194
Space group: P 21 21 21
Cell volume: 1491
Cell parameters: 5.779; 11.34; 22.751; 90; 90; 90;

COD ID: 2018468

Formula: - C16 H23 N O2 -
Comments: Lemmerer, Andreas; Fernandes, Manuel A. Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks Acta Crystallographica Section C 68(5) (2012) o188-o194
Space group: P 1 21/c 1
Cell volume: 3003.8
Cell parameters: 11.4496; 6.1011; 43.0883; 90; 93.659; 90;

COD ID: 2018469

Formula: - C17 H25 N O2 -
Comments: Lemmerer, Andreas; Fernandes, Manuel A. Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks Acta Crystallographica Section C 68(5) (2012) o188-o194
Space group: P 1 21/c 1
Cell volume: 3156.2
Cell parameters: 24.479; 6.28; 22.634; 90; 114.894; 90;

COD ID: 2018470

Formula: - C21 H33 N O2 -
Comments: Lemmerer, Andreas; Fernandes, Manuel A. Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks Acta Crystallographica Section C 68(5) (2012) o188-o194
Space group: P 1 21 1
Cell volume: 1005.8
Cell parameters: 12.699; 5.891; 14.387; 90; 110.855; 90;

COD ID: 2018471

Formula: - C15 H34 Cl2 N6 Ni O10 -
Comments: De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane Acta Crystallographica Section C 68(5) (2012) m121-m126
Space group: P 1 21/c 1
Cell volume: 2471.9
Cell parameters: 14.596; 10.995; 16.192; 90; 107.96; 90;

COD ID: 2018472

Formula: - C15 H32 Cl2 N6 Ni O9 -
Comments: De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane Acta Crystallographica Section C 68(5) (2012) m121-m126
Space group: P 21 21 21
Cell volume: 2429.7
Cell parameters: 9.428; 16.047; 16.06; 90; 90; 90;

COD ID: 2018473

Formula: - C15 H30 Cl2 N6 Ni O8 -
Comments: De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane Acta Crystallographica Section C 68(5) (2012) m121-m126
Space group: P 1 21/c 1
Cell volume: 2249
Cell parameters: 16.665; 9.696; 13.936; 90; 92.849; 90;

COD ID: 2018474

Formula: - C20 H36.48 Cl2 N8 Ni O8.24 -
Comments: De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane Acta Crystallographica Section C 68(5) (2012) m121-m126
Space group: P b c a
Cell volume: 5590
Cell parameters: 13.7285; 19.233; 21.171; 90; 90; 90;

COD ID: 2018475

Formula: - C43 H68 N4 O17 -
Comments: Wicher, Barbara; Pyta, Krystian; Przybylski, Piotr; Tykarska, Ewa; Gdaniec, Maria Redetermination of rifampicin pentahydrate revealing a zwitterionic form of the antibiotic Acta Crystallographica Section C 68(5) (2012) o209-o212
Space group: P 21 21 21
Cell volume: 4755.5
Cell parameters: 13.8506; 17.3867; 19.7476; 90; 90; 90;

COD ID: 2018476

Formula: - Mo15 Rb2 S19 Sc0.43 -
Comments: Gougeon, Patrick; Al Rahal Al Orabi, Rabih; Gautier, Régis; Potel, Michel Sc~0.43(2)~Rb~2~Mo~15~S~19~, a partially Sc-filled variant of Rb~2~Mo~15~S~19~ Acta Crystallographica Section C 68(5) (2012) i25-i28
Space group: R -3 c :H
Cell volume: 4393.33
Cell parameters: 9.5173; 9.5173; 56.0061; 90; 90; 120;

COD ID: 2018477

Formula: - C25 H39 Cl2 N7 O6 Ru -
Comments: Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D. Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate Acta Crystallographica Section C 68(5) (2012) m127-m130
Space group: C 1 2/c 1
Cell volume: 6207.6
Cell parameters: 17.8073; 12.3587; 28.5276; 90; 98.603; 90;

COD ID: 2018478

Formula: - C21 H39 Cl2 N5 O13 Ru -
Comments: Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D. Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate Acta Crystallographica Section C 68(5) (2012) m127-m130
Space group: P -1
Cell volume: 1487.4
Cell parameters: 8.1705; 10.3825; 18.1967; 92.464; 96.74; 103.386;

COD ID: 2018479

Formula: - C9 H7 Ag N4 O4 S -
Comments: Wan, Chong-Qing; Wang, Zi-Jia; Qiao, Peng; Wang, Zhi-Wei; Li, Ai-Min Supramolecular framework in catena-poly[[(nitrato-κO)silver(I)]-μ-(R,S)-2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^N,O:N'] Acta Crystallographica Section C 68(5) (2012) m117-m120
Space group: P 1 21/c 1
Cell volume: 1148.82
Cell parameters: 4.9972; 21.8972; 10.4994; 90; 90.668; 90;

COD ID: 2018480

Formula: - C6 H18 Cu N4 O12 -
Comments: Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas catena-Poly[[[(oxamide dioxime-κ^2^N,N')copper(II)]-μ-L-tartrato-κ^4^O^1^,O^2^:O^3^,O^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules Acta Crystallographica Section C 68(5) (2012) m131-m134
Space group: P 43 21 2
Cell volume: 1418.07
Cell parameters: 14.6316; 14.6316; 6.6239; 90; 90; 90;

COD ID: 2018481

Formula: - C35 H34 O7 -
Comments: Gurale, Bharat P.; Gonnade, Rajesh G.; Shashidhar, Mysore S. Chiral crystals from an achiral molecule: 4,6-di-O-benzyl-1,3-O-benzylidene-2-O-(4-methoxybenzyl)-myo-5-inosose Acta Crystallographica Section C 68(5) (2012) o183-o187
Space group: P 1 21 1
Cell volume: 1465
Cell parameters: 9.492; 9.735; 16.289; 90; 103.206; 90;

COD ID: 2018482

Formula: - C12 H13 N5 O2 -
Comments: Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher 2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl N-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions Acta Crystallographica Section C 68(5) (2012) o199-o203
Space group: P -1
Cell volume: 603.4
Cell parameters: 6.975; 7.4704; 12.161; 102.9; 92.64; 101.144;

COD ID: 2018483

Formula: - C19 H28 N6 O3 -
Comments: Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher 2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl N-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions Acta Crystallographica Section C 68(5) (2012) o199-o203
Space group: P 1 21/c 1
Cell volume: 1957.7
Cell parameters: 11.625; 13.2225; 13.0172; 90; 101.92; 90;

COD ID: 2018484

Formula: - C18 B3 F15 O3 -
Comments: Tillmann, Jan; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael Analysis of geometric parameters and packing considerations for triphenylboroxine derivatives, with tris(pentafluorophenyl)boroxine as an example Acta Crystallographica Section C 68(5) (2012) o204-o208
Space group: C 1 2/c 1
Cell volume: 1795.2
Cell parameters: 16.825; 13.181; 8.1049; 90; 92.846; 90;

COD ID: 2018485

Formula: - C18 H18 F N O -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher (2RS,4RS)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine and (2RS,4RS)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural Acta Crystallographica Section C 68(5) (2012) o195-o198
Space group: P 1 21/c 1
Cell volume: 1448.38
Cell parameters: 9.6285; 11.2875; 13.5147; 90; 99.565; 90;

COD ID: 2018486

Formula: - C18 H18 Cl N O -
Comments: Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher (2RS,4RS)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine and (2RS,4RS)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural Acta Crystallographica Section C 68(5) (2012) o195-o198
Space group: P 1 21/c 1
Cell volume: 1526.6
Cell parameters: 10.0891; 10.981; 13.7952; 90; 92.771; 90;

COD ID: 2018487

Formula: - C14 H10 N2 O8 -
Comments: Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound cis-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^O^2^,N,N',O^9^)manganese(II) chloride dihydrate Acta Crystallographica Section C 68(5) (2012) m135-m138
Space group: P 1 21/c 1
Cell volume: 1360.9
Cell parameters: 7.206; 15.968; 13.055; 90; 115.049; 90;

COD ID: 2018488

Formula: - C14 H14 Cl2 Mn N2 O10 -
Comments: Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound cis-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^O^2^,N,N',O^9^)manganese(II) chloride dihydrate Acta Crystallographica Section C 68(5) (2012) m135-m138
Space group: P b c n
Cell volume: 3749
Cell parameters: 17.195; 12.411; 17.569; 90; 90; 90;

COD ID: 2018489

Formula: - La Zn4 -
Comments: Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Griffin, Alexandra Lanthanum tetrazinc, LaZn~4~ Acta Crystallographica Section C 68(6) (2012) i37-i40
Space group: C m c m
Cell volume: 400.2
Cell parameters: 6.34; 10.312; 6.122; 90; 90; 90;

COD ID: 2018490

Formula: - C36 H25 F6 I3 O2 P2 -
Comments: Haghjoo, Farhad; Barnes, Nicholas A.; Pritchard, Robin; Godfrey, Stephen M.; Ratcliffe, Shane Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide Acta Crystallographica Section C 68(6) (2012) o216-o219
Space group: C 1 c 1
Cell volume: 3710.8
Cell parameters: 13.2153; 15.9752; 18.5695; 90; 108.818; 90;

COD ID: 2018491

Formula: - C14 H24 Cl2 Co N4 -
Comments: Herdtweck, Eberhardt; Zeller, Alexander; Strassner, Thomas Bis(1-tert-butyl-1H-imidazole-κN^3^)dichloridocobalt(II) Acta Crystallographica Section C 68(6) (2012) m166-m168
Space group: P 1 21/c 1
Cell volume: 3671.47
Cell parameters: 14.1054; 14.547; 18.7059; 90; 106.954; 90;

COD ID: 2018492

Formula: - C26 H41 N O3 -
Comments: Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald Two androsterone derivatives as inhibitors of androgen biosynthesis Acta Crystallographica Section C 68(6) (2012) o231-o234
Space group: P 1 21 1
Cell volume: 1187.38
Cell parameters: 13.07929; 5.82873; 16.314; 90; 107.31; 90;

COD ID: 2018493

Formula: - C28 H43 N O5 -
Comments: Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald Two androsterone derivatives as inhibitors of androgen biosynthesis Acta Crystallographica Section C 68(6) (2012) o231-o234
Space group: P 21 21 21
Cell volume: 2622.47
Cell parameters: 6.3941; 18.144; 22.6047; 90; 90; 90;

COD ID: 2018494

Formula: - C10 H13 B O3 S -
Comments: Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander 1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde Acta Crystallographica Section C 68(6) (2012) o213-o215
Space group: P 1 21/c 1
Cell volume: 1214.2
Cell parameters: 6.038; 10.286; 20.096; 90; 103.39; 90;

COD ID: 2018495

Formula: - C13 H17 B O3 -
Comments: Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander 1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde Acta Crystallographica Section C 68(6) (2012) o213-o215
Space group: P -1
Cell volume: 665.5
Cell parameters: 6.664; 9.537; 10.771; 102.252; 93.24; 94.07;

COD ID: 2018496

Formula: - C26 H19 Cl2 N O3 -
Comments: Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of R~2~^2^(18) and R~4~^4^(24) rings Acta Crystallographica Section C 68(6) (2012) o220-o225
Space group: I 41/a :2
Cell volume: 9123
Cell parameters: 22.268; 22.268; 18.398; 90; 90; 90;

COD ID: 2018497

Formula: - C36 H22 Cl2 N2 O4 -
Comments: Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of R~2~^2^(18) and R~4~^4^(24) rings Acta Crystallographica Section C 68(6) (2012) o220-o225
Space group: P -1
Cell volume: 1715.9
Cell parameters: 10.6771; 11.5208; 15.7275; 83.956; 72.795; 68.204;

COD ID: 2018498

Formula: - C10 H17 Cl2 Cu N5 O10 -
Comments: Meenongwa, Atittaya; Chaveerach, Unchulee; Blake, Alexander J. Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2-ylmethyl)guanidine]bis(perchlorato)copper(II) Acta Crystallographica Section C 68(6) (2012) m143-m146
Space group: P -1
Cell volume: 905.9
Cell parameters: 8.034; 9.804; 12.093; 74.72; 80.455; 86.176;

COD ID: 2018499

Formula: - C48 H40 Cl4 Hg2 N4 O4 -
Comments: Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin The structures of three Hg~2~X~4~L~2~ macrocycles {X = Cl, Br and I, and L = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands Acta Crystallographica Section C 68(6) (2012) m156-m160
Space group: P -1
Cell volume: 1102.8
Cell parameters: 8.7822; 10.6904; 12.044; 86.662; 78.93; 84.014;

COD ID: 2018500

Formula: - C48 H40 Br4 Hg2 N4 O4 -
Comments: Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin The structures of three Hg~2~X~4~L~2~ macrocycles {X = Cl, Br and I, and L = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands Acta Crystallographica Section C 68(6) (2012) m156-m160
Space group: P -1
Cell volume: 1149.2
Cell parameters: 9.021; 11.096; 11.914; 81.812; 78.764; 81.635;

COD ID: 2018501

Formula: - C48 H40 Hg2 I4 N4 O4 -
Comments: Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin The structures of three Hg~2~X~4~L~2~ macrocycles {X = Cl, Br and I, and L = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands Acta Crystallographica Section C 68(6) (2012) m156-m160
Space group: P -1
Cell volume: 1213.3
Cell parameters: 8.9444; 12.352; 12.052; 72.641; 74.882; 77.62;

COD ID: 2018502

Formula: - Al Li3 Mo3 O12 -
Comments: Bugaris, Daniel E.; Loye, Hans-Conrad zur Li~3~Al(MoO~4~)~3~, a lyonsite molybdate Acta Crystallographica Section C 68(6) (2012) i34-i36
Space group: P n m a
Cell volume: 897.9
Cell parameters: 5.0372; 10.32; 17.272; 90; 90; 90;

COD ID: 2018503

Formula: - C30 H24 N8 -
Comments: Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin 3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4H-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~ Acta Crystallographica Section C 68(6) (2012) m152-m155
Space group: C 1 c 1
Cell volume: 2419
Cell parameters: 6.141; 19.914; 19.91; 90; 96.537; 90;

COD ID: 2018504

Formula: - C30.5 H25 Cl3 Hg N8 -
Comments: Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin 3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4H-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~ Acta Crystallographica Section C 68(6) (2012) m152-m155
Space group: P 1 21/c 1
Cell volume: 3249.8
Cell parameters: 16.627; 10.6199; 20.082; 90; 113.586; 90;

COD ID: 2018505

Formula: - C24 H40 Fe N2 Si2 -
Comments: Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng meso-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue Acta Crystallographica Section C 68(6) (2012) m139-m142
Space group: P 1 21/n 1
Cell volume: 2602.5
Cell parameters: 10.186; 11.736; 22.341; 90; 102.978; 90;

COD ID: 2018506

Formula: - C24 H40 Co N2 Si2 -
Comments: Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng meso-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue Acta Crystallographica Section C 68(6) (2012) m139-m142
Space group: P -1
Cell volume: 649.2
Cell parameters: 7.891; 9.363; 10.44; 105.531; 111.101; 102.658;

COD ID: 2018507

Formula: - C23 H28 Cl3 N3 O6 -
Comments: Freire, Eleonora; Polla, Griselda; Baggio, Ricardo Aripiprazole salts. II. Aripiprazole perchlorate Acta Crystallographica Section C 68(6) (2012) o235-o239
Space group: P 1 21/c 1
Cell volume: 2466.02
Cell parameters: 14.7348; 8.3103; 20.159; 90; 92.557; 90;

COD ID: 2018508

Formula: - C24 H26 N2 O7 V -
Comments: Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna X-ray and DFT-calculated structures of a vanadyl Schiff base complex: (methanol-κO)[2-methoxy-6-({2-[(2-oxido-3-methoxybenzylidene)amino]benzyl}iminomethyl)phenolato-κ^4^O^1^,N,N,O^1'^]oxidovanadium(IV) monohydrate Acta Crystallographica Section C 68(6) (2012) m161-m165
Space group: P 1 21/c 1
Cell volume: 2335.52
Cell parameters: 6.9808; 34.6243; 9.674; 90; 92.774; 90;

COD ID: 2018509

Formula: - C6 H5 B Br2 -
Comments: Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael Structural characteristics of dibromoborylated benzene derivatives Acta Crystallographica Section C 68(6) (2012) o226-o230
Space group: P b c a
Cell volume: 1537.6
Cell parameters: 11.0841; 7.8287; 17.72; 90; 90; 90;

COD ID: 2018510

Formula: - C9 H13 B Br2 Si -
Comments: Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael Structural characteristics of dibromoborylated benzene derivatives Acta Crystallographica Section C 68(6) (2012) o226-o230
Space group: P 1 21/c 1
Cell volume: 1273
Cell parameters: 6.7452; 15.239; 12.4123; 90; 93.841; 90;

COD ID: 2018511

Formula: - C6 H4 B Br3 -
Comments: Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael Structural characteristics of dibromoborylated benzene derivatives Acta Crystallographica Section C 68(6) (2012) o226-o230
Space group: I 41/a :2
Cell volume: 3488
Cell parameters: 29.446; 29.446; 4.0228; 90; 90; 90;

COD ID: 2018512

Formula: - C8 H12 B Br2 N -
Comments: Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael Structural characteristics of dibromoborylated benzene derivatives Acta Crystallographica Section C 68(6) (2012) o226-o230
Space group: P 1 21/c 1
Cell volume: 1069.1
Cell parameters: 8.9095; 9.2874; 12.9306; 90; 92.249; 90;

COD ID: 2018513

Formula: - C11 H19 B Br2 S Si -
Comments: Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael Structural characteristics of dibromoborylated benzene derivatives Acta Crystallographica Section C 68(6) (2012) o226-o230
Space group: P n m a
Cell volume: 1609.9
Cell parameters: 6.695; 11.088; 21.687; 90; 90; 90;

COD ID: 2018514

Formula: - C38 H31 Cl6 Hg3 N13 -
Comments: Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin One-dimensional coordination polymers generated from a new triazole bridging ligand and HgX~2~ (X = Cl, Br and I): characterization and luminescent properties Acta Crystallographica Section C 68(6) (2012) m147-m151
Space group: P n m a
Cell volume: 4507.1
Cell parameters: 12.773; 27.267; 12.941; 90; 90; 90;

COD ID: 2018515

Formula: - C38 H31 Br6 Hg3 N13 -
Comments: Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin One-dimensional coordination polymers generated from a new triazole bridging ligand and HgX~2~ (X = Cl, Br and I): characterization and luminescent properties Acta Crystallographica Section C 68(6) (2012) m147-m151
Space group: P n m a
Cell volume: 4651
Cell parameters: 12.8037; 27.89; 13.0245; 90; 90; 90;

COD ID: 2018516

Formula: - C38 H31 Hg3 I6 N13 -
Comments: Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin One-dimensional coordination polymers generated from a new triazole bridging ligand and HgX~2~ (X = Cl, Br and I): characterization and luminescent properties Acta Crystallographica Section C 68(6) (2012) m147-m151
Space group: P n m a
Cell volume: 4945
Cell parameters: 12.822; 28.976; 13.309; 90; 90; 90;

COD ID: 2018517
CIF file Original IUCr paper	Formula: - C13 H10 N2 O - Comments: Keller, Max; Bhadbhade, Mohan M.; Read, Roger W. Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms Acta Crystallographica Section C 68(6) (2012) o240-o246 Space group: P 1 21/c 1 Cell volume: 1002.5 Cell parameters: 7.4767; 10.861; 12.475; 90; 98.277; 90;

COD ID: 2018518
CIF file Original IUCr paper	Formula: - C28 H35 N5 O3 - Comments: Keller, Max; Bhadbhade, Mohan M.; Read, Roger W. Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms Acta Crystallographica Section C 68(6) (2012) o240-o246 Space group: P -1 Cell volume: 2677.1 Cell parameters: 8.7319; 16.0343; 19.2802; 93.029; 95.427; 93.662;

COD ID: 2018519

Formula: - Fe H12 N3 O15 -
Comments: Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang New iron(III) nitrate hydrates: Fe(NO~3~)~3~·xH~2~O with x = 4, 5 and 6 Acta Crystallographica Section C 68(6) (2012) i29-i33
Space group: I a -3
Cell volume: 2625.9
Cell parameters: 13.7962; 13.7962; 13.7962; 90; 90; 90;

COD ID: 2018520

Formula: - Fe H10 N3 O14 -
Comments: Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang New iron(III) nitrate hydrates: Fe(NO~3~)~3~·xH~2~O with x = 4, 5 and 6 Acta Crystallographica Section C 68(6) (2012) i29-i33
Space group: P -1
Cell volume: 518.72
Cell parameters: 6.7693; 7.0692; 11.6734; 85.568; 80.655; 70.279;

COD ID: 2018521

Formula: - Fe H8 N3 O13 -
Comments: Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang New iron(III) nitrate hydrates: Fe(NO~3~)~3~·xH~2~O with x = 4, 5 and 6 Acta Crystallographica Section C 68(6) (2012) i29-i33
Space group: P 1 21/n 1
Cell volume: 1005.86
Cell parameters: 7.0696; 15.1917; 9.4264; 90; 96.508; 90;

COD ID: 2018522

Formula: - Bi5.02 In3.05 Pb4.93 S17 -
Comments: Winkler, H. P.; Topa, D.; Keller, E. Pb~5~In~3~Bi~5~S~17~ [Pb~4.94(3)~In~3.05(3)~Bi~4.99(3)~S~17~] and its structural relationship with Pb~4~In~3~Bi~7~S~18~ Acta Crystallographica Section C 68(7) (2012) i45-i49
Space group: P 1 21/m 1
Cell volume: 1476.8
Cell parameters: 23.03; 3.985; 17.275; 90; 111.33; 90;

COD ID: 2018523

Formula: - C46 H56 Ho2 N6 O16 -
Comments: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo Bis(2-amino-1H-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)-κ^4^O:O';κ^3^O,O':O;κ^3^O:O,O'-bis[bis(but-2-enoato-κ^2^O,O')holmium(III)] Acta Crystallographica Section C 68(7) (2012) m185-m188
Space group: P -1
Cell volume: 2624
Cell parameters: 14.2688; 15.0608; 15.7276; 66.226; 63.654; 63.7;

COD ID: 2018524

Formula: - C19 H34 Br3 N Pb -
Comments: Hodorowicz, Maciej A.; Piaskowska, Agata; Stadnicka, Katarzyna M. Self-assembly of long-chain quaternary ammonium cations in a hybrid inorganic‒organic material with one-dimensional polymeric tribromidoplumbate(II) Acta Crystallographica Section C 68(7) (2012) m173-m176
Space group: P 1 21/c 1
Cell volume: 2515.55
Cell parameters: 9.4354; 34.704; 7.6873; 90; 92.062; 90;

COD ID: 2018525

Formula: - C6 H8 Au Cl5 N4 -
Comments: Domasevitch, Konstantin V. 4,4'-Bi(1H-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium‒chloride hydrogen-bonding interactions Acta Crystallographica Section C 68(7) (2012) m169-m172
Space group: C 1 2/c 1
Cell volume: 1350.99
Cell parameters: 12.5768; 16.0166; 7.1617; 90; 110.533; 90;

COD ID: 2018526

Formula: - Cu3 H6 O11 V2 -
Comments: Ishikawa, Hajime; Yamaura, Jun-ichi; Okamoto, Yoshihiko; Yoshida, Hiroyuki; Nilsen, Gøran J.; Hiroi, Zenji A novel crystal polymorph of volborthite, Cu~3~V~2~O~7~(OH)~2~·2H~2~O Acta Crystallographica Section C 68(7) (2012) i41-i44
Space group: C 1 2/c 1
Cell volume: 894.79
Cell parameters: 10.6118; 5.8708; 14.4181; 90; 95.029; 90;

COD ID: 2018527

Formula: - C8 H4 Cu3 N7 -
Comments: Meng, Gao-Xiang; Zhu, Jian-Hui; Feng, Ya-Min; Huang, Xin-Tang; Yang, He-Lin The three-dimensional coordination network in poly[di-μ~3~-cyanido-μ~5~-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)] Acta Crystallographica Section C 68(7) (2012) m194-m196
Space group: C 1 2/c 1
Cell volume: 1007.5
Cell parameters: 12.4823; 11.8834; 8.7986; 90; 129.467; 90;

COD ID: 2018528

Formula: - C14 H14 F N O2 -
Comments: Smith, Graham; Wermuth, Urs D. Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines Acta Crystallographica Section C 68(7) (2012) o253-o256
Space group: P -1
Cell volume: 590.86
Cell parameters: 8.0316; 8.1702; 9.2085; 98.595; 93.324; 97.26;

COD ID: 2018529

Formula: - C14 H16 F N O3 -
Comments: Smith, Graham; Wermuth, Urs D. Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines Acta Crystallographica Section C 68(7) (2012) o253-o256
Space group: P 1 21/c 1
Cell volume: 1275.29
Cell parameters: 11.3688; 8.7802; 12.7989; 90; 93.436; 90;

COD ID: 2018530

Formula: - C14 H14 F N O2 -
Comments: Smith, Graham; Wermuth, Urs D. Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines Acta Crystallographica Section C 68(7) (2012) o253-o256
Space group: P 1 21/n 1
Cell volume: 1203.59
Cell parameters: 10.7554; 6.6709; 16.8466; 90; 95.275; 90;

COD ID: 2018531

Formula: - C21 H16 N2 O6 -
Comments: Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa A 1:1 cocrystal of baicalein with nicotinamide Acta Crystallographica Section C 68(7) (2012) o262-o265
Space group: P -1
Cell volume: 871.7
Cell parameters: 5.248; 11.422; 14.952; 84.38; 82.29; 79.83;

COD ID: 2018532

Formula: - C14 H10 Cl N3 -
Comments: Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R. Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones Acta Crystallographica Section C 68(7) (2012) o270-o278
Space group: P 1 21/n 1
Cell volume: 1216.72
Cell parameters: 10.7246; 7.1767; 16.3492; 90; 104.779; 90;

COD ID: 2018533

Formula: - C14 H10 Br N3 -
Comments: Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R. Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones Acta Crystallographica Section C 68(7) (2012) o270-o278
Space group: P 1 21/n 1
Cell volume: 1245.43
Cell parameters: 10.6804; 7.315; 16.5427; 90; 105.5; 90;

COD ID: 2018534

Formula: - C14 H10 I N3 -
Comments: Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R. Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones Acta Crystallographica Section C 68(7) (2012) o270-o278
Space group: P 1 21/c 1
Cell volume: 1353.8
Cell parameters: 8.9757; 20.547; 7.3703; 90; 95.137; 90;

COD ID: 2018535

Formula: - C14 H10 Br N3 -
Comments: Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R. Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones Acta Crystallographica Section C 68(7) (2012) o270-o278
Space group: P 1 21/c 1
Cell volume: 1278.05
Cell parameters: 7.7963; 9.8952; 16.5695; 90; 91.07; 90;

COD ID: 2018536

Formula: - C14 H10 I N3 -
Comments: Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R. Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones Acta Crystallographica Section C 68(7) (2012) o270-o278
Space group: P 1 21/c 1
Cell volume: 1325.6
Cell parameters: 7.9108; 10.0376; 16.6958; 90; 90.871; 90;

COD ID: 2018537

Formula: - C13 H10 Cl N3 O2 -
Comments: Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R. Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones Acta Crystallographica Section C 68(7) (2012) o270-o278
Space group: P 1 n 1
Cell volume: 1283.28
Cell parameters: 9.7426; 6.1015; 21.7139; 90; 96.175; 90;

COD ID: 2018538

Formula: - C13 H10 Cl N3 O2 -
Comments: Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R. Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones Acta Crystallographica Section C 68(7) (2012) o270-o278
Space group: P 1 21/n 1
Cell volume: 1277.2
Cell parameters: 6.126; 16.404; 12.951; 90; 101.091; 90;

COD ID: 2018539

Formula: - C45 H28 N4 Ni O -
Comments: Spencer, Lara C.; Yao, Shu A.; Berry, John F.; Guzei, Ilia A. An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II) Acta Crystallographica Section C 68(7) (2012) m197-m199
Space group: I -4 2 d
Cell volume: 3199.26
Cell parameters: 15.6514; 15.6514; 13.06; 90; 90; 90;

COD ID: 2018540

Formula: - C12 H19 B Cl F4 N3 Pt -
Comments: Salmond, Rosanne C.; Munro, Orde Q. π‒π Dimerization of a mono(pyridyl‒imine) platinum(II) chelate Acta Crystallographica Section C 68(7) (2012) m189-m193
Space group: P 1 21/n 1
Cell volume: 1634.6
Cell parameters: 11.0907; 11.1644; 13.48; 90; 101.664; 90;

COD ID: 2018541

Formula: - Fe3.74 Li3.88 O16 P4 -
Comments: Dal Bo, Fabrice; Hatert, Frédéric Li~0.97~Fe^II^~0.79~Fe^III^~0.15~(PO~4~), a new oxidized triphylite-type phosphate Acta Crystallographica Section C 68(7) (2012) i53-i54
Space group: P n m a
Cell volume: 290.383
Cell parameters: 10.306; 6.0041; 4.69281; 90; 90; 90;

COD ID: 2018542

Formula: - C35 H26 Cl4 N2 O2 S -
Comments: Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S. Intermolecular C—H···O and C—H···X interactions in substituted spiroacenaphthylene structures Acta Crystallographica Section C 68(7) (2012) o257-o261
Space group: P 1 21/n 1
Cell volume: 3124.9
Cell parameters: 13.4722; 16.4269; 14.8673; 90; 108.243; 90;

COD ID: 2018543

Formula: - C35 H28 F2 N2 O2 S -
Comments: Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S. Intermolecular C—H···O and C—H···X interactions in substituted spiroacenaphthylene structures Acta Crystallographica Section C 68(7) (2012) o257-o261
Space group: P 1 21/n 1
Cell volume: 2823.87
Cell parameters: 14.8802; 9.6789; 20.2209; 90; 104.155; 90;

COD ID: 2018544

Formula: - C35 H28 Br2 N2 O2 S -
Comments: Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S. Intermolecular C—H···O and C—H···X interactions in substituted spiroacenaphthylene structures Acta Crystallographica Section C 68(7) (2012) o257-o261
Space group: P 1 21/c 1
Cell volume: 3062.3
Cell parameters: 14.2275; 15.6753; 15.378; 90; 116.761; 90;

COD ID: 2018545

Formula: - C18 H34 Cl N O14 -
Comments: Shi, Ping-ping; Zhang, Li; Ye, Qiong 4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate Acta Crystallographica Section C 68(7) (2012) o266-o269
Space group: P n a 21
Cell volume: 2582.6
Cell parameters: 14.668; 10.242; 17.191; 90; 90; 90;

COD ID: 2018546

Formula: - C18 H34 B F4 N O10 -
Comments: Shi, Ping-ping; Zhang, Li; Ye, Qiong 4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate Acta Crystallographica Section C 68(7) (2012) o266-o269
Space group: P n a 21
Cell volume: 2549.1
Cell parameters: 14.634; 10.177; 17.116; 90; 90; 90;

COD ID: 2018547

Formula: - C5 H36 Mo5 N15 O25.5 P2 -
Comments: Di Tondo, Pietro; Pritchard, Robin Gavin Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH~6~N~3~)~5~[HP~2~Mo~5~O~23~]·2.5H~2~O: hydrogen bonding and π-stacking in guanidinium cations Acta Crystallographica Section C 68(7) (2012) i50-i52
Space group: P 1 21/c 1
Cell volume: 7003.3
Cell parameters: 23.0859; 19.2656; 15.7659; 90; 92.873; 90;

COD ID: 2018548

Formula: - C5 H5 Cd N2 O5 -
Comments: Yin, Xia; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang A new two-dimensional cadmium coordination polymer with 1H-imidazole-4-carboxylate and oxalate Acta Crystallographica Section C 68(7) (2012) m177-m180
Space group: P 1 21/c 1
Cell volume: 766.07
Cell parameters: 10.0259; 6.9271; 13.9278; 90; 127.63; 90;

COD ID: 2018549

Formula: - C32 H30.65 N2 O3.33 -
Comments: Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative Acta Crystallographica Section C 68(7) (2012) o247-o252
Space group: P 21 21 2
Cell volume: 2585.13
Cell parameters: 14.2076; 15.9721; 11.392; 90; 90; 90;

COD ID: 2018550

Formula: - C32 H30.8 N2 O3.4 -
Comments: Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative Acta Crystallographica Section C 68(7) (2012) o247-o252
Space group: P 21 21 2
Cell volume: 2590.78
Cell parameters: 14.2212; 15.9917; 11.392; 90; 90; 90;

COD ID: 2018551

Formula: - C54 H64 Cu2 I2 N8 -
Comments: Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane Acta Crystallographica Section C 68(7) (2012) m181-m184
Space group: P -1
Cell volume: 1313.5
Cell parameters: 10.119; 12.37; 12.962; 103.19; 111.06; 109.3;

COD ID: 2018552

Formula: - C32 H32 Cu2 I4 N4 -
Comments: Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane Acta Crystallographica Section C 68(7) (2012) m181-m184
Space group: C 1 2/c 1
Cell volume: 3351.5
Cell parameters: 17.7; 14.604; 13.757; 90; 109.53; 90;

COD ID: 2018553

Formula: - C12 H11 Cu N2 O10 P2 V -
Comments: Venegas-Yazigi, Diego; Vega, Andres; Valdes de la Barra, Karen; Saldias, Marianela; Le Fur, Eric A new hybrid organic‒inorganic chain: [(phen)Cu‒μ-(κ^2^O:O'-VP~2~O~10~H~3~)~2~‒Cu(phen)]~n~ Acta Crystallographica Section C 68(7) (2012) m200-m202
Space group: P -1
Cell volume: 861.9
Cell parameters: 7.235; 10.705; 11.624; 75.25; 82.58; 84.91;

COD ID: 2018554

Formula: - C10 H19 Cu N5 O5 -
Comments: He, Jiao-Jiao; Chai, Wen-Xiang; Song, Li; Niu, Feng; Fang, Xiao-Bin A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κN)(iminodiacetato-κ^3^O,N,O')copper(II) Acta Crystallographica Section C 68(8) (2012) m206-m208
Space group: P c a 21
Cell volume: 1287
Cell parameters: 9.8; 19.039; 6.8975; 90; 90; 90;

COD ID: 2018555

Formula: - C24 H22 Co N4 O8 -
Comments: Deng, Yi-Fang; Xu, Jin-Sheng; Chen, Man-Sheng; Zhang, Chun-Hua Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate] Acta Crystallographica Section C 68(8) (2012) m219-m222
Space group: P 1 21/c 1
Cell volume: 2448.8
Cell parameters: 11.1247; 13.8704; 16.0515; 90; 98.621; 90;

COD ID: 2018556

Formula: - C15 H20 Br N O3 -
Comments: Huang, Yu; Zhong, Jia-Liang; Hanbin, Shan; Li, Min; Yuan, Zhe-Dong (1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate Acta Crystallographica Section C 68(8) (2012) o308-o310
Space group: P 1 21/c 1
Cell volume: 1558.34
Cell parameters: 11.9376; 7.3761; 18.1618; 90; 102.979; 90;

COD ID: 2018557

Formula: - C22 H28 O8 -
Comments: Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from Pleurothyrium cinereum (Lauraceae) Acta Crystallographica Section C 68(8) (2012) o320-o322
Space group: P 61
Cell volume: 3231.9
Cell parameters: 18.2223; 18.2223; 11.2387; 90; 90; 120;

COD ID: 2018558

Formula: - C9 H5 N5 O6 -
Comments: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain Structures of benzoxazine-fused triazoles as potential diuretic agents Acta Crystallographica Section C 68(8) (2012) o302-o307
Space group: P 1 21/n 1
Cell volume: 1023.26
Cell parameters: 6.6313; 18.5174; 8.3354; 90; 91.352; 90;

COD ID: 2018559

Formula: - C14 H11 N5 O8 -
Comments: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain Structures of benzoxazine-fused triazoles as potential diuretic agents Acta Crystallographica Section C 68(8) (2012) o302-o307
Space group: P n a 21
Cell volume: 1546.2
Cell parameters: 7.2636; 17.673; 12.0447; 90; 90; 90;

COD ID: 2018560

Formula: - C17 H19 N O2 S -
Comments: Frøstrup, Brian; Peters, Dan; Bond, Andrew D. Enantiomerically pure (1S,5R) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate Acta Crystallographica Section C 68(8) (2012) o298-o301
Space group: C 1 c 1
Cell volume: 1535.3
Cell parameters: 13.316; 14.195; 9.02; 90; 115.775; 90;

COD ID: 2018561

Formula: - C17 H19 N O2 S -
Comments: Frøstrup, Brian; Peters, Dan; Bond, Andrew D. Enantiomerically pure (1S,5R) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate Acta Crystallographica Section C 68(8) (2012) o298-o301
Space group: P 1
Cell volume: 768.85
Cell parameters: 9.0244; 9.7278; 9.7492; 92.9699; 107.457; 107.551;

COD ID: 2018562

Formula: - C15 H15 Br N2 O2 Pt -
Comments: Tenne, Mario; Unger, Yvonne; Strassner, Thomas (Acetylacetonato-κ^2^O,O')[1-(4-bromophenyl-κC^2^)-3-methylimidazol-2-ylidene-κC^2^]platinum(II) Acta Crystallographica Section C 68(8) (2012) m203-m205
Space group: P 1 21/c 1
Cell volume: 1507.8
Cell parameters: 7.5; 12.144; 16.844; 90; 100.625; 90;

COD ID: 2018563

Formula: - C28 H36 Cl2 Co2 N8 O12 -
Comments: Maass, John S.; Luck, Rudy L.; Zeller, Matthias The first dinuclear cobalt complex bridged by acetylamidate ligands: di-μ-acetylamido-κ^2^O:N;κ^2^N:O-di-μ-hydroxido-κ^4^O:O-bis[bis(pyridine-κN)cobalt(III)] bis(perchlorate) acetonitrile disolvate Acta Crystallographica Section C 68(8) (2012) m233-m234
Space group: P 1 21/n 1
Cell volume: 1794.1
Cell parameters: 10.6198; 10.244; 16.503; 90; 92.167; 90;

COD ID: 2018564
CIF file Original IUCr paper	Formula: - Ge11.58 La4 Li2 - Comments: Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~ Acta Crystallographica Section C 68(8) (2012) i60-i64 Space group: C m m m Cell volume: 388.196 Cell parameters: 4.1871; 21.1132; 4.3912; 90; 90; 90;

COD ID: 2018565
CIF file Original IUCr paper	Formula: - Ge4 La2 Li Si2 - Comments: Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~ Acta Crystallographica Section C 68(8) (2012) i60-i64 Space group: C m m m Cell volume: 381.753 Cell parameters: 4.1462; 21.0674; 4.3704; 90; 90; 90;

COD ID: 2018566

Formula: - C22 H24 Mg O9 -
Comments: Arlin, Jean-Baptiste; Kennedy, Alan R. Alkaline earth metal salts of 1-naphthoic acid Acta Crystallographica Section C 68(8) (2012) m213-m218
Space group: P 1 21/c 1
Cell volume: 2165.13
Cell parameters: 12.8896; 8.0048; 24.53; 90; 121.19; 90;

COD ID: 2018567

Formula: - C22 H18 Ca O6 -
Comments: Arlin, Jean-Baptiste; Kennedy, Alan R. Alkaline earth metal salts of 1-naphthoic acid Acta Crystallographica Section C 68(8) (2012) m213-m218
Space group: C 1 2/c 1
Cell volume: 1857.27
Cell parameters: 21.079; 11.441; 7.72; 90; 93.994; 90;

COD ID: 2018568

Formula: - C22 H18 O6 Sr -
Comments: Arlin, Jean-Baptiste; Kennedy, Alan R. Alkaline earth metal salts of 1-naphthoic acid Acta Crystallographica Section C 68(8) (2012) m213-m218
Space group: C 1 2/c 1
Cell volume: 1914.8
Cell parameters: 21.274; 11.3397; 7.9619; 90; 94.52; 90;

COD ID: 2018569

Formula: - C22 H18 Ba O6 -
Comments: Arlin, Jean-Baptiste; Kennedy, Alan R. Alkaline earth metal salts of 1-naphthoic acid Acta Crystallographica Section C 68(8) (2012) m213-m218
Space group: P b c n
Cell volume: 2028.5
Cell parameters: 20.464; 11.9699; 8.2812; 90; 90; 90;

COD ID: 2018570

Formula: - C91.5 H96 Al N3 O3 -
Comments: Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A. Tris[3,6-di-tert-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato-κ^2^N,O]aluminium(III) toluene sesquisolvate Acta Crystallographica Section C 68(8) (2012) m226-m228
Space group: P -1
Cell volume: 3697.98
Cell parameters: 13.0728; 15.9452; 19.4565; 75.217; 75.262; 74.2;

COD ID: 2018571

Formula: - C11 H8 F N O3 -
Comments: Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim Supramolecular networks in (9-fluoro-4H-chromeno[4,3-c]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K Acta Crystallographica Section C 68(8) (2012) o288-o293
Space group: P b c a
Cell volume: 1815.81
Cell parameters: 14.1516; 7.0064; 18.3134; 90; 90; 90;

COD ID: 2018572

Formula: - C11 H8 Cl N O3 -
Comments: Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim Supramolecular networks in (9-fluoro-4H-chromeno[4,3-c]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K Acta Crystallographica Section C 68(8) (2012) o288-o293
Space group: P -1
Cell volume: 2944.13
Cell parameters: 9.4306; 14.8892; 21.4949; 98.764; 97.61; 94.013;

COD ID: 2018573

Formula: - C4 H9 N O2 -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. The effect of partial methylation of the glycine amino group on crystal structure in N,N-dimethylglycine and its hemihydrate Acta Crystallographica Section C 68(8) (2012) o283-o287
Space group: P b c a
Cell volume: 2103.9
Cell parameters: 11.2228; 10.0097; 18.7285; 90; 90; 90;

COD ID: 2018574

Formula: - C4 H10 N O2.5 -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. The effect of partial methylation of the glycine amino group on crystal structure in N,N-dimethylglycine and its hemihydrate Acta Crystallographica Section C 68(8) (2012) o283-o287
Space group: C 1 2/c 1
Cell volume: 2321.29
Cell parameters: 20.0403; 10.7329; 11.112; 90; 103.78; 90;

COD ID: 2018575

Formula: - C15 H15 N3 O3 -
Comments: Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari Two (E)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols Acta Crystallographica Section C 68(8) (2012) o279-o282
Space group: C 1 2/c 1
Cell volume: 2702.4
Cell parameters: 31.688; 6.7674; 13.146; 90; 106.545; 90;

COD ID: 2018576

Formula: - C17 H19 N3 O3 -
Comments: Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari Two (E)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols Acta Crystallographica Section C 68(8) (2012) o279-o282
Space group: P 1 21/c 1
Cell volume: 1525.32
Cell parameters: 6.5848; 22.2544; 10.8735; 90; 106.811; 90;

COD ID: 2018577

Formula: - B Co H4.96 K O10.48 P2 -
Comments: Guesmi, Abderrahmen; Driss, Ahmed KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes Acta Crystallographica Section C 68(8) (2012) i55-i59
Space group: P 65 2 2
Cell volume: 1227.8
Cell parameters: 9.5231; 9.5231; 15.633; 90; 90; 120;

COD ID: 2018578

Formula: - B Ca0.42 Co H6 K0.17 O11 P2 -
Comments: Guesmi, Abderrahmen; Driss, Ahmed KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes Acta Crystallographica Section C 68(8) (2012) i55-i59
Space group: P 65 2 2
Cell volume: 1233.2
Cell parameters: 9.472; 9.472; 15.872; 90; 90; 120;

COD ID: 2018579

Formula: - C28 H34 Cu2 N4 Na2 O20 S2 -
Comments: Fu, Jiang-Hong; Wang, Yu-Ling; Chen, Ying; Hu, Chang-Hui; Tang, Li A one-dimensional heterometallic coordination polymer with a three-dimensional supramolecular framework: poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~-2-sulfonatobutanedioato)copper(II)sodium(I)] Acta Crystallographica Section C 68(8) (2012) m209-m212
Space group: P -1
Cell volume: 905.82
Cell parameters: 7.156; 9.8692; 12.9585; 95.853; 90.544; 95.643;

COD ID: 2018580

Formula: - C16 H12 O5 -
Comments: Hopf, Henning; Jones, Peter G.; Goclik, Eva; Aust, Pauline; Rödiger, Johanna A new polymorph of physcion Acta Crystallographica Section C 68(8) (2012) o317-o319
Space group: P 1 21/c 1
Cell volume: 1227.12
Cell parameters: 6.1986; 24.547; 8.1004; 90; 95.37; 90;

COD ID: 2018581

Formula: - C16 H16 Ag4 N2 O4 S2 -
Comments: Sun, Di; Yan, Zhi-Hao A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands Acta Crystallographica Section C 68(8) (2012) m229-m232
Space group: P b c a
Cell volume: 3858.4
Cell parameters: 22.1562; 6.9556; 25.0366; 90; 90; 90;

COD ID: 2018582

Formula: - C16 H20 N7 O9 P -
Comments: Ślepokura, Katarzyna The first 3':5'-cyclic nucleotide‒amino acid complex: L-His‒cIMP Acta Crystallographica Section C 68(8) (2012) o311-o316
Space group: P 21 21 21
Cell volume: 1925.4
Cell parameters: 5.709; 10.284; 32.795; 90; 90; 90;

COD ID: 2018583

Formula: - C34 H33 N O3 -
Comments: Frampton, Christopher S.; Zhang, Tao; Scalabrino, Gaia A.; Frankish, Neil; Sheridan, Helen (1S)-1-Phenylethanaminium 4-{[(1S,2S)-1-hydroxy-2,3-dihydro-1H,1'H-[2,2'-biinden]-2-yl]methyl}benzoate Acta Crystallographica Section C 68(8) (2012) o323-o326
Space group: P 1 21 1
Cell volume: 1327.68
Cell parameters: 11.035; 10.1713; 11.8533; 90; 93.678; 90;

COD ID: 2018584

Formula: - C7 H10 O4 -
Comments: Santos, L. M.; Legendre, A. O.; Villis, P. C. M.; Viegas Jr, C.; Doriguetto, A. C. (±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure Acta Crystallographica Section C 68(8) (2012) o294-o297
Space group: P 1 21/c 1
Cell volume: 749.96
Cell parameters: 5.989; 5.663; 22.282; 90; 97.07; 90;

COD ID: 2018585

Formula: - C18.5 H20 Cl N2 O0.5 Pd -
Comments: Raven, William; Kalf, Irmgard; Englert, Ulli Pseudosymmetry in a cyclopalladated compound Acta Crystallographica Section C 68(8) (2012) m223-m225
Space group: P 1
Cell volume: 1767.6
Cell parameters: 11.9699; 12.3754; 12.4793; 104.369; 95.465; 95.802;

COD ID: 2018586

Formula: - C7 H8 Br K2 N O4 S3 -
Comments: Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L. Poly[di-μ-aqua-[μ~6~-N-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-N-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium] Acta Crystallographica Section C 68(11) (2012) m312-m316
Space group: P 1 21/c 1
Cell volume: 1427.6
Cell parameters: 6.1869; 7.2241; 31.941; 90; 90.42; 90;

COD ID: 2018587

Formula: - C7 H8 I K2 N O4 S3 -
Comments: Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L. Poly[di-μ-aqua-[μ~6~-N-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-N-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium] Acta Crystallographica Section C 68(11) (2012) m312-m316
Space group: P 1 21/c 1
Cell volume: 1498.6
Cell parameters: 16.155; 6.3794; 14.549; 90; 91.86; 90;

COD ID: 2018588

Formula: - C16 H24.22 O10.11 -
Comments: Liu, Ya-Ling; Zou, Pei; Wu, Hao; Xie, Min-Hao; Luo, Shi-Neng 3,4,6-Tri-O-acetyl-1,2-O-[1-(exo-ethoxy)ethylidene]-β-D-mannopyranose 0.11-hydrate Acta Crystallographica Section C 68(9) (2012) o338-o340
Space group: P 1 21 1
Cell volume: 1881
Cell parameters: 5.6353; 30.987; 10.817; 90; 95.232; 90;

COD ID: 2018589

Formula: - C30 H17 B N6 O3 S -
Comments: Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P. Sulfonate pseudohalides of boron subphthalocyanine Acta Crystallographica Section C 68(11) (2012) o459-o464
Space group: P -1
Cell volume: 1205.77
Cell parameters: 10.5118; 11.0929; 11.2047; 72.749; 75.862; 81.398;

COD ID: 2018590

Formula: - C30 H16 B N7 O5 S -
Comments: Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P. Sulfonate pseudohalides of boron subphthalocyanine Acta Crystallographica Section C 68(11) (2012) o459-o464
Space group: P 1 21/c 1
Cell volume: 2556.8
Cell parameters: 13.8349; 13.8988; 14.3887; 90; 112.466; 90;

COD ID: 2018591

Formula: - C25 H15 B N6 O3 S -
Comments: Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P. Sulfonate pseudohalides of boron subphthalocyanine Acta Crystallographica Section C 68(11) (2012) o459-o464
Space group: P 1 21/n 1
Cell volume: 2141.6
Cell parameters: 11.3713; 11.6114; 16.276; 90; 94.774; 90;

COD ID: 2018592

Formula: - C32 H34 N2 O7.5 -
Comments: Zou, Pei; Wu, Hao; Liu, Yaling; Xie, Minhao; Wang, Hongyong {5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-D-threopentofuranosyl}thymine ethyl acetate 0.25-solvate Acta Crystallographica Section C 68(11) (2012) o472-o474
Space group: P 1 21 1
Cell volume: 3089.1
Cell parameters: 10.542; 17.931; 17.136; 90; 107.51; 90;

COD ID: 2018593

Formula: - C15 H19 N O4 -
Comments: Smith, Graham; Wermuth, Urs D. Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with o- and p-anisidine and m- and p-aminobenzoic acids Acta Crystallographica Section C 68(9) (2012) o327-o331
Space group: P -1
Cell volume: 676.4
Cell parameters: 7.3557; 8.363; 11.7128; 100.453; 97.232; 104.042;

COD ID: 2018594

Formula: - C15 H17 N O3 -
Comments: Smith, Graham; Wermuth, Urs D. Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with o- and p-anisidine and m- and p-aminobenzoic acids Acta Crystallographica Section C 68(9) (2012) o327-o331
Space group: P 1 21/n 1
Cell volume: 1273.42
Cell parameters: 11.7119; 6.6705; 17.2898; 90; 109.482; 90;

COD ID: 2018595

Formula: - C15 H15 N O4 -
Comments: Smith, Graham; Wermuth, Urs D. Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with o- and p-anisidine and m- and p-aminobenzoic acids Acta Crystallographica Section C 68(9) (2012) o327-o331
Space group: P 21 21 21
Cell volume: 1312.03
Cell parameters: 6.4958; 12.5236; 16.1281; 90; 90; 90;

COD ID: 2018596

Formula: - C15 H17 N O5 -
Comments: Smith, Graham; Wermuth, Urs D. Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with o- and p-anisidine and m- and p-aminobenzoic acids Acta Crystallographica Section C 68(9) (2012) o327-o331
Space group: P 1 21/n 1
Cell volume: 1419.6
Cell parameters: 13.077; 6.6713; 16.432; 90; 97.982; 90;

COD ID: 2018597

Formula: - C6 H7 N O2 S -
Comments: Hazra, Dipak K.; Mukherjee, Monika; Helliwell, Madeleine; Mukherjee, Alok K. 2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100K and Hirshfeld surface analysis Acta Crystallographica Section C 68(11) (2012) o452-o455
Space group: P 1 21/c 1
Cell volume: 684.24
Cell parameters: 4.812; 14.3729; 9.9178; 90; 94.037; 90;

COD ID: 2018598

Formula: - C14 H30 N4 O -
Comments: de Sousa, Alvaro S.; Sannasy, Denzel; Fernandes, Manuel A.; Marques, Helder M. Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen) Acta Crystallographica Section C 68(10) (2012) o383-o386
Space group: P b c a
Cell volume: 3038.4
Cell parameters: 10.6137; 8.3339; 34.35; 90; 90; 90;

COD ID: 2018599

Formula: - C21 H21 N O7 S3 -
Comments: Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate: a new member of the (RSO~2~)ON(SO~2~R)~2~ family Acta Crystallographica Section C 68(10) (2012) o417-o420
Space group: P 1 21/c 1
Cell volume: 2311.65
Cell parameters: 14.6523; 9.9342; 16.0953; 90; 99.355; 90;

COD ID: 2018600

Formula: - C8 H9 N O6 -
Comments: Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst Pseudopolymorphs of chelidamic acid and its dimethyl ester Acta Crystallographica Section C 68(9) (2012) o344-o350
Space group: P 1 21/n 1
Cell volume: 917.96
Cell parameters: 5.8256; 12.5648; 12.7464; 90; 100.303; 90;

COD ID: 2018601

Formula: - C9 H12 N2 O5 -
Comments: Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst Pseudopolymorphs of chelidamic acid and its dimethyl ester Acta Crystallographica Section C 68(9) (2012) o344-o350
Space group: P -1
Cell volume: 1045.7
Cell parameters: 7.3688; 11.1416; 14.3584; 69.025; 79.438; 72.455;

COD ID: 2018602

Formula: - C9 H11 N O6 S -
Comments: Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst Pseudopolymorphs of chelidamic acid and its dimethyl ester Acta Crystallographica Section C 68(9) (2012) o344-o350
Space group: P -1
Cell volume: 557.59
Cell parameters: 4.746; 10.4917; 11.9787; 103.592; 97.606; 101.651;

COD ID: 2018603

Formula: - C9 H11 N O6 -
Comments: Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst Pseudopolymorphs of chelidamic acid and its dimethyl ester Acta Crystallographica Section C 68(9) (2012) o344-o350
Space group: I 1 2/a 1
Cell volume: 2089.6
Cell parameters: 17.241; 6.1519; 20.71; 90; 107.96; 90;

COD ID: 2018604

Formula: - C8 H6 Cd Cl2 N4 -
Comments: Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V. Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible? Acta Crystallographica Section C 68(11) (2012) m295-m299
Space group: C m c m
Cell volume: 1032.27
Cell parameters: 11.7374; 11.6511; 7.5484; 90; 90; 90;

COD ID: 2018605

Formula: - C8 H6 Br2 Cd N4 -
Comments: Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V. Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible? Acta Crystallographica Section C 68(11) (2012) m295-m299
Space group: C m c m
Cell volume: 1106.47
Cell parameters: 11.7549; 11.9619; 7.869; 90; 90; 90;

COD ID: 2018606

Formula: - C8 H6 Cd2 I4 N4 -
Comments: Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V. Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible? Acta Crystallographica Section C 68(11) (2012) m295-m299
Space group: P 1 21/c 1
Cell volume: 795.65
Cell parameters: 8.0106; 14.3621; 7.685; 90; 115.855; 90;

COD ID: 2018607

Formula: - C24 H31 Cl2 N2 O3 P Pt -
Comments: Giardina-Papa, Daniela; Intini, Francesco Paolo; Natile, Giovanni; Pacifico, Concetta trans-Chloridobis[(Z)-1-imino-1-methoxyethane-κN](triphenylphosphane-κP)platinum(II) chloride monohydrate Acta Crystallographica Section C 68(11) (2012) m300-m302
Space group: P 1 21/c 1
Cell volume: 2731.03
Cell parameters: 10.7361; 17.1215; 15.6226; 90; 108.009; 90;

COD ID: 2018608

Formula: - C20 H24 N6 O4 Zn -
Comments: Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing; Tan, Chun-Yun A fivefold interpenetrating diamond-like three-dimensional metal‒organic framework: poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)] Acta Crystallographica Section C 68(11) (2012) m309-m311
Space group: C 1 2/c 1
Cell volume: 2116.2
Cell parameters: 16.203; 5.9721; 22.156; 90; 99.223; 90;

COD ID: 2018609

Formula: - C98 H98 N18 O40 P8 -
Comments: Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta The supramolecular architecture of tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate] Acta Crystallographica Section C 68(9) (2012) o351-o354
Space group: P 1 21/c 1
Cell volume: 5437
Cell parameters: 14.306; 26.675; 14.436; 90; 99.26; 90;

COD ID: 2018610

Formula: - C43 H40 Fe3 N2 O7 Te2 -
Comments: Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. [N,N'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^N,N']heptacarbonyl-1κC,2κ^3^C,3κ^3^C-di-μ~3~-tellurido-triiiron(II)(2 Fe—Fe) Acta Crystallographica Section C 68(11) (2012) m320-m322
Space group: P 1 21/c 1
Cell volume: 8617.3
Cell parameters: 11.5954; 31.7767; 23.7179; 90; 99.58; 90;

COD ID: 2018611

Formula: - C16 H14 O3 -
Comments: Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B. An irreversible phase transition in 1-n-butylindeno[2,1-c]pyran-3,9-dione Acta Crystallographica Section C 68(10) (2012) o413-o416
Space group: P -1
Cell volume: 661.71
Cell parameters: 4.6539; 10.18; 14.3718; 82.481; 88.127; 78.604;

COD ID: 2018612

Formula: - C16 H14 O3 -
Comments: Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B. An irreversible phase transition in 1-n-butylindeno[2,1-c]pyran-3,9-dione Acta Crystallographica Section C 68(10) (2012) o413-o416
Space group: P -1
Cell volume: 608.98
Cell parameters: 5.3708; 7.2029; 16.9507; 96.461; 93.246; 110.029;

COD ID: 2018613

Formula: - C16 H14 O3 -
Comments: Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B. An irreversible phase transition in 1-n-butylindeno[2,1-c]pyran-3,9-dione Acta Crystallographica Section C 68(10) (2012) o413-o416
Space group: P -1
Cell volume: 631.62
Cell parameters: 5.433; 7.2863; 17.0874; 97.426; 92.884; 108.874;

COD ID: 2018614

Formula: - C16 H17 N3 O5 -
Comments: Lapidus, Saul H.; Lemmerer, Andreas; Bernstein, Joel; Stephens, Peter W. Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid‒N'-(propan-2-ylidene)nicotinohydrazide (1/1) Acta Crystallographica Section C 68(9) (2012) o335-o337
Space group: P 1 21/c 1
Cell volume: 1717.17
Cell parameters: 8.5813; 22.7241; 8.8506; 90; 95.76; 90;

COD ID: 2018615

Formula: - C54 H48 N6 O4 S2 Zn -
Comments: Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate Acta Crystallographica Section C 68(10) (2012) m269-m274
Space group: C 1 2/c 1
Cell volume: 4674.5
Cell parameters: 26.6479; 10.7706; 16.4983; 90; 99.187; 90;

COD ID: 2018616

Formula: - C42 H45 N3 O8 S Zn2 -
Comments: Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate Acta Crystallographica Section C 68(10) (2012) m269-m274
Space group: P 1 21/c 1
Cell volume: 4362.04
Cell parameters: 14.1522; 13.4408; 23.3887; 90; 101.342; 90;

COD ID: 2018617

Formula: - C30 H29 Cl F2 N3 O2 P -
Comments: Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi Three new [XC(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (X = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core Acta Crystallographica Section C 68(10) (2012) o399-o404
Space group: P 1 21/n 1
Cell volume: 2863.56
Cell parameters: 10.8298; 9.9164; 26.674; 90; 91.539; 90;

COD ID: 2018618

Formula: - C35 H33 F N3 O2 P -
Comments: Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi Three new [XC(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (X = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core Acta Crystallographica Section C 68(10) (2012) o399-o404
Space group: P -1
Cell volume: 1519
Cell parameters: 10.0173; 11.2362; 14.5992; 99.351; 109.96; 91.135;

COD ID: 2018619

Formula: - C35 H32 F2 N3 O2 P -
Comments: Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi Three new [XC(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (X = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core Acta Crystallographica Section C 68(10) (2012) o399-o404
Space group: P -1
Cell volume: 1474.5
Cell parameters: 11.9526; 12.2897; 12.7463; 102.074; 104.462; 118.262;

COD ID: 2018620

Formula: - C12 H18 O3 S2 -
Comments: Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J. rac-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex Acta Crystallographica Section C 68(9) (2012) m238-m241
Space group: P 1 21/c 1
Cell volume: 1391.93
Cell parameters: 15.6089; 6.7055; 14.2492; 90; 111.044; 90;

COD ID: 2018621

Formula: - C12 H18 Cl2 O3 Pd S2 -
Comments: Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J. rac-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex Acta Crystallographica Section C 68(9) (2012) m238-m241
Space group: P 1 21/n 1
Cell volume: 1689.04
Cell parameters: 10.6595; 12.9818; 12.2828; 90; 96.416; 90;

COD ID: 2018622
CIF file Original IUCr paper	Formula: - C38 H75 N O16 - Comments: van de Streek, Jacco Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate Acta Crystallographica Section C 68(9) (2012) o369-o372 Space group: P 21 21 21 Cell volume: 4462.6 Cell parameters: 15.7098; 18.8926; 15.03575; 90; 90; 90;

COD ID: 2018623

Formula: - C18 H31 N2 O5.5 S0.5 -
Comments: Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Fruziński, Andrzej; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan Novel pseudopolymorph of the active metabolite of perindopril Acta Crystallographica Section C 68(9) (2012) o341-o343
Space group: P 21 21 21
Cell volume: 4077.5
Cell parameters: 10.3504; 16.0908; 24.4828; 90; 90; 90;

COD ID: 2018624
CIF file Original IUCr paper	Formula: - C28 H24 N2 O2 S - Comments: Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A. Three anilides of 2,2'-thiodibenzoic acid Acta Crystallographica Section C 68(10) (2012) o387-o391 Space group: P 1 21/c 1 Cell volume: 2343.03 Cell parameters: 14.9815; 10.9355; 15.549; 90; 113.107; 90;

COD ID: 2018625

Formula: - C26 H18 Br2 N2 O2 S -
Comments: Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A. Three anilides of 2,2'-thiodibenzoic acid Acta Crystallographica Section C 68(10) (2012) o387-o391
Space group: P 1 21/c 1
Cell volume: 2367.66
Cell parameters: 20.6504; 15.3378; 7.5101; 90; 95.52; 90;

COD ID: 2018626

Formula: - C30 H28 N2 O2 S -
Comments: Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A. Three anilides of 2,2'-thiodibenzoic acid Acta Crystallographica Section C 68(10) (2012) o387-o391
Space group: P 1 21/n 1
Cell volume: 2498.47
Cell parameters: 7.8786; 17.3269; 18.396; 90; 95.787; 90;

COD ID: 2018627

Formula: - C9 H7 N7 -
Comments: Lysenko, Andrey B. The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1H-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure Acta Crystallographica Section C 68(10) (2012) m291-m294
Space group: P 1 c 1
Cell volume: 453.45
Cell parameters: 3.7413; 7.8684; 15.4092; 90; 91.54; 90;

COD ID: 2018628

Formula: - C18 H16 Cd N14 O2 -
Comments: Lysenko, Andrey B. The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1H-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure Acta Crystallographica Section C 68(10) (2012) m291-m294
Space group: P -1
Cell volume: 501.47
Cell parameters: 7.6554; 7.8589; 9.0762; 98.926; 98.066; 108.354;

COD ID: 2018629

Formula: - C32 H19 Cd N3 O6 -
Comments: Ye, Jun-Wei; Zhao, Li-Mei; Li, Wei; Ning, Gui-Ling A new two-dimensional cadmium metal‒organic framework: poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5-nitroisophthalato)cadmium(II)] Acta Crystallographica Section C 68(11) (2012) m306-m308
Space group: P 1 21/c 1
Cell volume: 2610.3
Cell parameters: 11.649; 12.702; 17.72; 90; 95.41; 90;

COD ID: 2018630

Formula: - C11 H13 N3 O4 -
Comments: Seela, Frank; Mei, Hui; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans 5-Ethynyl-2'-deoxycytidine: a DNA building block with a `clickable' side chain Acta Crystallographica Section C 68(10) (2012) o395-o398
Space group: P 1
Cell volume: 580.98
Cell parameters: 7.8754; 8.1504; 10.0893; 108.637; 96.327; 104.562;

COD ID: 2018631

Formula: - C16 H10 N4 O4 -
Comments: Wang, Yi; Stoeckli-Evans, Helen The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid Acta Crystallographica Section C 68(11) (2012) o431-o435
Space group: P 1 21/c 1
Cell volume: 1428.3
Cell parameters: 8.304; 9.684; 17.802; 90; 93.89; 90;

COD ID: 2018632

Formula: - C16 H16 Cl2 N4 O6 -
Comments: Wang, Yi; Stoeckli-Evans, Helen The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid Acta Crystallographica Section C 68(11) (2012) o431-o435
Space group: P -1
Cell volume: 478.19
Cell parameters: 6.857; 8.576; 9.187; 63.4; 81.94; 87.47;

COD ID: 2018633

Formula: - C20 H22 N4 O6 S2 -
Comments: Wang, Yi; Stoeckli-Evans, Helen The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid Acta Crystallographica Section C 68(11) (2012) o431-o435
Space group: P 1 21/n 1
Cell volume: 1126.8
Cell parameters: 13.067; 6.138; 14.453; 90; 103.59; 90;

COD ID: 2018634

Formula: - C17 H30 N2 O6 -
Comments: Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan Perindoprilat monohydrate Acta Crystallographica Section C 68(11) (2012) o443-o446
Space group: P 21 21 21
Cell volume: 1900.25
Cell parameters: 8.1645; 10.0136; 23.2429; 90; 90; 90;

COD ID: 2018635

Formula: - C50 H62 Cl2 N14 Ni O8 -
Comments: Guo, Yi-Ping; Li, Dong-Ying; Li, Guo-Ting Poly[[bis{μ~2~-N^2^,N^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}dichloridonickel(II)] N,N-dimethylformamide tetrasolvate] Acta Crystallographica Section C 68(10) (2012) m284-m286
Space group: P 1 21/c 1
Cell volume: 2674.8
Cell parameters: 7.6822; 19.039; 19.1684; 90; 107.432; 90;

COD ID: 2018636

Formula: - C40 H16 O4 -
Comments: Fouad, Farid; Bunge, Scott D.; Ellman, Brett D.; Twieg, Robert J. Tetranaphthyleno[5,6-bcd:11,12-b'c'd':17,18-b''c''d'':23,24-b'''c'''d''']tetrafuran Acta Crystallographica Section C 68(11) (2012) o465-o467
Space group: P 1 21/n 1
Cell volume: 1192.1
Cell parameters: 15.592; 4.3936; 17.713; 90; 100.746; 90;

COD ID: 2018637

Formula: - C3 H42 K2 Ni2 O36 P6 Pd3 -
Comments: Babaryk, Artem A.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Dudko, Anatolij V.; Pekhnyo, Vasily I. Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic (medronic) acid comprising `handbell-like' [Pd{μ-CH~2~(PO~3~)~2~}]~3~ units Acta Crystallographica Section C 68(9) (2012) m242-m245
Space group: C 1 2/c 1
Cell volume: 3699.5
Cell parameters: 23.6234; 12.5467; 16.0458; 90; 128.934; 90;

COD ID: 2018638