Search results

Formula: - C29 H27 Br2 N O5 -
Comments: Xia, Bing; Gerard, Baudouin; Solano, Danielle M.; Wan, Jiandi; Jones, 2nd, Guilford; Porco, Jr, John A ESIPT-mediated photocycloadditions of 3-hydroxyquinolinones: development of a fluorescence quenching assay for reaction screening. Organic letters 13(6) (2011) 1346-1349
Space group: P 1 n 1
Cell volume: 2752.3
Cell parameters: 8.5231; 29.4273; 11.1098; 90; 98.976; 90;

COD ID: 1503445
CIF file	Formula: - C10 H15 N O2 - Comments: Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F. Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity. Organic letters 12(13) (2010) 3030-3033 Space group: P 1 n 1 Cell volume: 1085.5 Cell parameters: 10.557; 10.13; 10.861; 90; 110.844; 90;

COD ID: 1503536

Formula: - C26 H22 F N3 O4 S2 -
Comments: Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles. Organic letters 14(2) (2012) 490-493
Space group: P 1 n 1
Cell volume: 1271.5
Cell parameters: 11.03; 8.972; 12.853; 90; 91.448; 90;

COD ID: 1504347

Formula: - C17 H28 Cl2 N3 O P Ru -
Comments: Casini, Angela; Gabbiani, Chiara; Sorrentino, Francesca; Rigobello, Maria Pia; Bindoli, Alberto; Geldbach, Tilmann J.; Marrone, Alessandro; Re, Nazzareno; Hartinger, Christian G.; Dyson, Paul J.; Messori, Luigi Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds. Journal of medicinal chemistry 51(21) (2008) 6773-6781
Space group: P 1 n 1
Cell volume: 2000.2
Cell parameters: 6.6343; 20.033; 15.188; 90; 97.73; 90;

COD ID: 1505318
CIF file	Formula: - C82 H86 F24 N7 O8.5 P4 - Comments: Peng, Xiao-Xia; Lu, Hai-Yan; Han, Tao; Chen, Chuan-Feng Synthesis of a novel triptycene-based molecular tweezer and its complexation with paraquat derivatives. Organic letters 9(5) (2007) 895-898 Space group: P 1 n 1 Cell volume: 8551 Cell parameters: 20.39; 18.3; 22.938; 90; 92.504; 90;

COD ID: 1505679
CIF file	Formula: - C21 H16 F N3 O2 - Comments: Nie, Aihua; Huang, Ziwei Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives Journal of Combinatorial Chemistry 8(5) (2006) 655 Space group: P 1 n 1 Cell volume: 845.72 Cell parameters: 9.705; 5.644; 15.603; 90; 98.293; 90;

COD ID: 1506026

Formula: - C17 H19 Cl N2 S -
Comments: Zhu, Yulin; Huang, Shenlin; Wan, Jieping; Yan, Lei; Pan, Yuanjiang; Wu, Anxin Two novel diastereoselective three-component reactions of alkenes or 3,4-dihydro-(2H)-pyran with urea/thiourea-aldehyde mixtures: [4 + 2] cycloaddition vs Biginelli-type reaction. Organic letters 8(12) (2006) 2599-2602
Space group: P 1 n 1
Cell volume: 830.7
Cell parameters: 9.0868; 9.7252; 9.844; 90; 107.272; 90;

COD ID: 1506497
CIF file	Formula: - C28 H18 N6 O14 - Comments: Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R. Synthesis of functionalized oxacalix[4]arenes. Organic letters 7(1) (2005) 91-94 Space group: P 1 n 1 Cell volume: 2961.3 Cell parameters: 17.22; 8.4231; 21.729; 90; 110.017; 90;

COD ID: 1506534
CIF file	Formula: - C18 H14 I2 N4 O2 - Comments: Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W. Designed cocrystals based on the pyridine-iodoalkyne halogen bond. Organic letters 7(10) (2005) 1891-1893 Space group: P 1 n 1 Cell volume: 2180.6 Cell parameters: 4.5341; 33.343; 14.4556; 90; 93.812; 90;

COD ID: 1506740
CIF file	Formula: - C10 H11 F3 N2 O3 S - Comments: Charette, André B; Mathieu, Simon; Martel, Jonathan Electrophilic activation of lactams with Tf2O and pyridine: expedient synthesis of (+/-)-tetraponerine T4. Organic letters 7(24) (2005) 5401-5404 Space group: P 1 n 1 Cell volume: 1282 Cell parameters: 9.3647; 10.3859; 13.1874; 90; 91.777; 90;

COD ID: 1507258

Formula: - C11 H16 O5 -
Comments: Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters 5(5) (2003) 641-644
Space group: P 1 n 1
Cell volume: 609.9
Cell parameters: 8.681; 7.913; 8.884; 90; 91.96; 90;

COD ID: 1508036
CIF file	Formula: - C98 H81 B F24 Fe N O3 P3 Si - Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565 Space group: P 1 n 1 Cell volume: 4619.43 Cell parameters: 13.2539; 16.3059; 21.3757; 90; 90.561; 90;

COD ID: 1508402
CIF file	Formula: - H3 Li O6 Se2 - Comments: Vedam, K.; Okaya, Y.; Pepinsky, R. Crystal structure of ferroelectric LiH3(SeO3)2 Physical Review 119(4) (1960) 1252-1255 Space group: P 1 n 1 Cell volume: 258 Cell parameters: 6.25; 7.88; 5.43; 90; 105.2; 90;

COD ID: 1509701
CIF file	Formula: - Ag2 O4 Si Zn - Comments: Hoerlin, T.; Vaivars, G.; Grins, J. Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4 Solid State Ionics 78 (1995) 259-267 Space group: P 1 n 1 Cell volume: 207.736 Cell parameters: 6.9732; 5.4967; 5.4199; 90; 89.562; 90;

COD ID: 1509763
CIF file	Formula: - Ag2 Bi O3 - Comments: Dinnebier, R.E.; Jansen, M.; Ibberson, R.M.; Oberndorfer, C.P.M. Charge ordering in Ag2 Bi O3 Solid State Sciences 8 (2006) 267-276 Space group: P 1 n 1 Cell volume: 359.667 Cell parameters: 5.95492; 6.31001; 9.58082; 90; 92.4823; 90;

COD ID: 1509810
CIF file	Formula: - Ag2 Ge O4 Zn - Comments: Hoerlin, T.; Grins, J.; Vaivars, G. Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4 Solid State Ionics 78 (1995) 259-267 Space group: P 1 n 1 Cell volume: 219.801 Cell parameters: 7.1254; 5.609; 5.4997; 90; 89.754; 90;

COD ID: 1509969
CIF file	Formula: - Ag7 S6 Ta - Comments: Ishii, M.; Wada, H.; Onoda, M. Crystal structure model of a low-temperature phase (phase II) of argyrodite-family Ag7 Ta S6 Solid State Ionics 86 (1996) 217-222 Space group: P 1 n 1 Cell volume: 581.514 Cell parameters: 7.453; 7.4026; 10.5401; 90; 90.069; 90;

COD ID: 1513422

Formula: - C34 H40 Cl F6 N2 P -
Comments: Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas NIR-Absorbing Heptamethine Dyes with Tailor-Made Counterions for Application in Light to Energy Conversion. Organic letters 16(4) (2014) 1044-1047
Space group: P 1 n 1
Cell volume: 6401.1
Cell parameters: 8.4401; 24.4463; 31.1399; 90; 94.948; 90;

COD ID: 1513762

Formula: - C34 H33 Cl3 N2 Pd -
Comments: Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes Polymer Chemistry 5(4) (2014) 1210
Space group: P 1 n 1
Cell volume: 1581.19
Cell parameters: 11.7926; 9.4147; 14.555; 90; 101.906; 90;

COD ID: 1516502

Formula: - C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -
Comments: Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science 5(10) (2014) 3883
Space group: P 1 n 1
Cell volume: 1814.32
Cell parameters: 11.7724; 13.4968; 12.2285; 90; 110.968; 90;

COD ID: 1517042

Formula: - C17 H24 N4 O5 Zn -
Comments: Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane Inorganica Chimica Acta 402 (2013) 25-32
Space group: P 1 n 1
Cell volume: 950.8
Cell parameters: 9.47; 8.8874; 11.3366; 90; 94.809; 90;

COD ID: 1518251

Formula: - C61 H60 B Cl0 F20 N4 Nb -
Comments: Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci. 6(2) (2015) 993
Space group: P 1 n 1
Cell volume: 6547
Cell parameters: 15.2666; 16.9177; 25.577; 90; 97.658; 90;

COD ID: 1519068

Formula: - Cs6 H5 Mo10 O42 P V2 -
Comments: Hashimoto, Masato; Selling, Anna; Hakansson, Mikael; Pettersson, Lage Multicomponent Polyanions. 52. Crystal Structure of Hexacaesium Monohydrogen Decamolybdo(VI)divanado(IV)phosphate(7‒) Dihydrate. Acta Chemica Scandinavica 53 (1999) 305-313
Space group: P 1 n 1
Cell volume: 2037.5
Cell parameters: 10.982; 10.614; 17.487; 90; 91.64; 90;

COD ID: 1519105
CIF file	Formula: - C24 H134 B6 N26 O87 P12 V12 - Comments: Junghwan Do; Li-Min Zheng; Ranko P. Bontchev; Allan J. Jacobson Synthesis, structure and magnetic properties of (NH4)2(C3H12N3)8[V2P2BO12]6.15H2O Solid State Sciences 2 (2000) 343-351 Space group: P 1 n 1 Cell volume: 5336 Cell parameters: 13.8684; 17.492; 22.5; 90; 102.147; 90;

COD ID: 1519522
CIF file	Formula: - C34 H48 Cl2 N4 O2 - Comments: Shi, A. J.; Hursthouse, Michael B.; Light, Mark E.; Carniolo, S.; Gale, Phil A. Tetrabutylammonium N,N'-diphenyl-3,4-dichloropyrrolate-2,5-dicarboxamide Crystal Structure Report Archive (2002) 53 Space group: P 1 n 1 Cell volume: 3324.96 Cell parameters: 13.2385; 16.9228; 15.0678; 90; 99.944; 90;

COD ID: 1520064
CIF file	Formula: - C4 H2 N10 O7 - Comments: Zhang, Jiaheng; Shreeve, Jean’ne M. Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties The Journal of Physical Chemistry C 119(23) (2015) 12887 Space group: P 1 n 1 Cell volume: 496.9 Cell parameters: 7.8; 8.2; 8.6; 90; 115.4; 90;

COD ID: 1520283
CIF file	Formula: - C25 H23 B Br O2 P - Comments: Tizzard, Graham J.; Hursthouse, Michael B.; Spencer, John C31H33O2BBrP Crystal Structure Report Archive (2009) 1047 Space group: P 1 n 1 Cell volume: 1118.78 Cell parameters: 9.8278; 9.4884; 12.0388; 90; 94.74; 90;

COD ID: 1520381

Formula: - C21 H31 N3 O2 -
Comments: Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism. The journal of physical chemistry. A 119(24) (2015) 6223-6231
Space group: P 1 n 1
Cell volume: 988.43
Cell parameters: 4.6265; 5.6189; 38.026; 90; 90.753; 90;

COD ID: 1520514
CIF file	Formula: - C20 H24 O4 S - Comments: Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones. Organic letters 17(12) (2015) 3142-3145 Space group: P 1 n 1 Cell volume: 885.3 Cell parameters: 11.2988; 5.7063; 14.045; 90; 102.129; 90;

COD ID: 1520562
CIF file	Formula: - C46 H46 Cl2 F6 O14 S2 - Comments: Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives. Organic letters 17(13) (2015) 3260-3263 Space group: P 1 n 1 Cell volume: 2455.14 Cell parameters: 11.616; 18.2419; 11.617; 90; 94.1589; 90;

COD ID: 1520709
CIF file	Formula: - C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 - Comments: Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari Mixed valence mono- and hetero-metallic grid catenanes Chem. Sci. 6(10) (2015) 5712 Space group: P 1 n 1 Cell volume: 24800 Cell parameters: 21.91216; 32.64068; 35.0386; 90; 98.2694; 90;

COD ID: 1522997
CIF file	Formula: - H3 Li O6 Se2 - Comments: Tellgren, R.; Liminga, R. Hydrogen bond studies. 54. A neutron diffraction study of the ferroelectric lithium trihydrogen selenite, Li H3 (Se O3)2 Journal of Solid State Chemistry 4 (1972) 255-261 Space group: P 1 n 1 Cell volume: 258.402 Cell parameters: 6.2554; 7.8823; 5.4339; 90; 105.325; 90;

COD ID: 1526126
CIF file	Formula: - H5 N O4 S - Comments: Nelmes, R.J. The structure of ammonium hydrogen sulphate in its ferroelectric phase and the ferroelectric transition Ferroelectrics 4 (1972) 133-140 Space group: P 1 n 1 Cell volume: 925.57 Cell parameters: 15.119; 4.58; 15.119; 90; 117.86; 90;

COD ID: 1534527
CIF file	Formula: - Cs Ga2 O16 P5 - Comments: Lesage, J.; Raveau, B.; Guesdon, A. New gallium pentaphosphates : AGa2P5O16 (A = Rb, Cs) Solid State Sciences 6 (2004) 697-703 Space group: P 1 n 1 Cell volume: 651.559 Cell parameters: 7.462; 9.241; 10.103; 90; 110.731; 90;

COD ID: 1534531
CIF file	Formula: - Ga2 O16 P5 Rb - Comments: Lesage, J.; Guesdon, A.; Raveau, B. New gallium pentaphosphates: A Ga2 P5 O16 (A = Rb, Cs) Solid State Sciences 6 (2004) 697-703 Space group: P 1 n 1 Cell volume: 643.928 Cell parameters: 7.4058; 9.2151; 10.0912; 90; 110.768; 90;

COD ID: 1534842
CIF file	Formula: - H22 N5 O11 P3 - Comments: Lyakhov, A.S.; Palkina, K.K.; Selevich, A.F. Crystal structure of ammonium triphosphate hydrate (N H4)5 P3 O10 .(H2 O) Zhurnal Neorganicheskoi Khimii 39 (1994) 1438-1442 Space group: P 1 n 1 Cell volume: 731.107 Cell parameters: 6.429; 10.326; 11.013; 90; 90; 90;

COD ID: 1535170
CIF file	Formula: - D2.824 H0.176 Na O6 Se2 - Comments: McMullan, R.K.; Nagle, J.F.; Thomas, R. Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state Journal of Chemical Physics 77 (1982) 537-547 Space group: P 1 n 1 Cell volume: 574.731 Cell parameters: 10.314; 9.663; 5.768; 90; 91.23; 90;

COD ID: 1535186

Formula: - H I3 La O9.5 -
Comments: Hector, A.L.; Henderson, S.; Levason, W.; Webster, M. Hydrothermal synthesis of scandium, yttrium and lanthanide iodates from the corresponding periodates: X-ray crystal structures of Sc (I O3)3, Y (I O3)3 * 2(H2 O), La (I O3)3 * 1/2(H2 O) and Lu (I O3)3 * 2(H2 O) Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 198-202
Space group: P 1 n 1
Cell volume: 860.603
Cell parameters: 7.219; 11.139; 10.708; 90; 91.86; 90;

COD ID: 1537469
CIF file	Formula: - Al13 H79 O68 S3 - Comments: Johansson, G. On the crystal structure of the basic aluminum sulfate (Al2 O3)13 (S O3)6 (H2 O)79 Arkiv foer Kemi 20 (1963) 321-342 Space group: P 1 n 1 Cell volume: 2824.86 Cell parameters: 14.18; 11.5; 17.73; 90; 102.3; 90;

COD ID: 1540617
CIF file	Formula: - C30 H26 O3 S - Comments: Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters 17(22) (2015) 5702-5705 Space group: P 1 n 1 Cell volume: 1243.77 Cell parameters: 14.188; 5.8892; 15.3276; 90; 103.795; 90;

COD ID: 1540748
CIF file	Formula: - C42 H72 Fe K2 O15 S10 - Comments: Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci. 7(1) (2016) 416 Space group: P 1 n 1 Cell volume: 2977.9 Cell parameters: 9.666; 17.7362; 17.9259; 90; 104.302; 90;

COD ID: 1543451

Formula: - C33 H25 B F4 Ni -
Comments: Craig, Peter R.; Havlas, Zdeněk; Trujillo, Marianela; Rempala, Pawel; Kirby, James P.; Miller, John R.; Noll, Bruce C.; Michl, Josef Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical. The journal of physical chemistry. A 120(20) (2016) 3456-3462
Space group: P 1 n 1
Cell volume: 1277.27
Cell parameters: 10.2168; 8.9068; 14.1388; 90; 96.912; 90;

COD ID: 1543496
CIF file	Formula: - C58 H56 O20 - Comments: Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang Functionalized O6-Corona[6]arenes: Synthesis, Structure, and Fullerene Complexation Property. Organic letters 18(13) (2016) 3126-3129 Space group: P 1 n 1 Cell volume: 2727.2 Cell parameters: 7.7437; 24.157; 14.585; 90; 91.656; 90;

COD ID: 1544326

Formula: - C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -
Comments: Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss. (2016)
Space group: P 1 n 1
Cell volume: 5718.15
Cell parameters: 17.6742; 13.931; 24.3295; 90; 107.34; 90;

COD ID: 1545239
CIF file	Formula: - H16 La2 O20 S3 - Comments: Vanderpool, Richard A.; Khan, Masood A.; Frech, Roger Structure and Raman spectra of single-crystal La2(SO4)3.8H2O Journal of Molecular Structure 245 (1991) 255-273 Space group: P 1 n 1 Cell volume: 827.1 Cell parameters: 6.881; 17.376; 6.923; 90; 92.34; 90;

COD ID: 1545711

Formula: - C88 H108 B2 F6 N6 O3 Te2 -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 n 1
Cell volume: 4213.2
Cell parameters: 12.2007; 20.9116; 17.3413; 90; 107.773; 90;

COD ID: 1546746

Formula: - C12 H18 Cl O2 Sc -
Comments: Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes Chem. Sci. (2017)
Space group: P 1 n 1
Cell volume: 641.41
Cell parameters: 7.0301; 10.1171; 9.2007; 90; 101.433; 90;

COD ID: 1546929

Formula: - C2 D5 N O2 -
Comments: Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ 4(5) (2017) 569-574
Space group: P 1 n 1
Cell volume: 150.11
Cell parameters: 5.023; 5.9846; 5.4946; 90; 114.654; 90;

COD ID: 1547463

Formula: - C24 H17 F3 N2 O2 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P 1 n 1
Cell volume: 3831
Cell parameters: 9.8771; 10.6875; 36.521; 90; 96.428; 90;

COD ID: 1547566
CIF file	Formula: - C4 H4 N2 O2 - Comments: Rozen, Shlomo; Shaffer, Avshalom Synthesis of N,N-Dioxopyridazines. Organic letters 19(18) (2017) 4707-4709 Space group: P 1 n 1 Cell volume: 227.78 Cell parameters: 3.8868; 5.4329; 10.8693; 90; 97.068; 90;

COD ID: 1547642
CIF file	Formula: - C20 H28 N2 O5 S - Comments: Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C–H bonds Chem. Sci. (2017) Space group: P 1 n 1 Cell volume: 1038.94 Cell parameters: 6.2851; 16.6804; 9.9664; 90; 96.0995; 90;

COD ID: 1548875

Formula: - C18 H39 Ag B10 N2 O7 P2 Ru -
Comments: Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science 9(9) (2018) 2601-2608
Space group: P 1 n 1
Cell volume: 1576.57
Cell parameters: 10.6009; 13.8331; 11.0738; 90; 103.867; 90;

COD ID: 1549629
CIF file	Formula: - C48 H86 B Fe K2 N2 O6 P3 - Comments: Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science 9(29) (2018) 6264-6270 Space group: P 1 n 1 Cell volume: 2750.4 Cell parameters: 12.8973; 12.5342; 17.2106; 90; 98.668; 90;

COD ID: 1550019

Formula: - C38 H23 N3 O26 S8 -
Comments: Jeamet, Emeric; Septavaux, Jean; Héloin, Alexandre; Donnier-Maréchal, Marion; Dumartin, Melissa; OURRI, Benjamin; Mandal, Pradeep Kumar; Huc, Ivan; Bignon, Emmanuelle; Dumont, Elise; Morell, Christophe; Francoia, Jean-Patrick; PERRET, Florent; Vial, Laurent; Leclaire, Julien Wetting the lock and key enthalpically favours polyelectrolytes binding Chemical Science (2018)
Space group: P 1 n 1
Cell volume: 2562.87
Cell parameters: 11.0583; 10.7138; 21.6433; 90; 91.862; 90;

COD ID: 1550171
CIF file	Formula: - C50 H75 Cu3 Zn4 - Comments: Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Embryonic brass: pseudo two electron Cu/Zn clusters. Chemical science 9(48) (2018) 8906-8913 Space group: P 1 n 1 Cell volume: 10330 Cell parameters: 16.1793; 37.93; 17.4798; 90; 105.636; 90;

COD ID: 1550824

Formula: - C22 H19 N3 O4 -
Comments: Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K. A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni2+ and colorimetric detection of Cu2. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 18(6) (2019) 1512-1525
Space group: P 1 n 1
Cell volume: 3763
Cell parameters: 8.559; 24.701; 17.801; 90; 90; 90;

COD ID: 1551413
CIF file	Formula: - C21 H15 N3 O3 Pd - Comments: Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination Nature Chemistry 10 (2018) 1126-1133 Space group: P 1 n 1 Cell volume: 1706.1 Cell parameters: 15.0023; 6.9693; 17.7197; 90; 112.945; 90;

COD ID: 1552236
CIF file	Formula: - C60 H131 F K2 N4 O12 Si17 - Comments: Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon Chemical Science (2019) Space group: P 1 n 1 Cell volume: 9459.2 Cell parameters: 16.4939; 25.3561; 22.6197; 90; 90.756; 90;

COD ID: 1552376

Formula: - C16 Al Cl3 F36 O4 Se -
Comments: Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase Chemical Science (2019)
Space group: P 1 n 1
Cell volume: 9706.6
Cell parameters: 16.5135; 31.9553; 19.1323; 90; 105.965; 90;

COD ID: 1552889

Formula: - C16 H11 B F2 N2 O -
Comments: Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences (2019)
Space group: P 1 n 1
Cell volume: 1330.54
Cell parameters: 7.2084; 10.4274; 17.7519; 90; 94.312; 90;

COD ID: 1556088

Formula: - C72 H63 Ag3 Cl2 N4 O3 P6 -
Comments: Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J. Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication Nanoscale (2019)
Space group: P 1 n 1
Cell volume: 3417.91
Cell parameters: 16.0687; 13.7323; 16.9464; 90; 113.932; 90;

COD ID: 1556788
CIF file	Formula: - C19 H17 I N2 O2 - Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510 Space group: P 1 n 1 Cell volume: 854.8 Cell parameters: 10.7653; 7.3634; 11.4066; 90; 109.025; 90;

COD ID: 1557238

Formula: - C29 H36 Au B10 Cl2 F6 P2 Sb -
Comments: Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes Chemical Science 11(10) (2020) 2750-2758
Space group: P 1 n 1
Cell volume: 1957.94
Cell parameters: 10.0221; 13.3021; 14.7578; 90; 95.633; 90;

COD ID: 1557380
CIF file	Formula: - C60 H56 B2 F8 N2 O8 - Comments: Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science 11(12) (2020) 3192-3197 Space group: P 1 n 1 Cell volume: 2719.7 Cell parameters: 12.5252; 16.8071; 12.9207; 90; 90.786; 90;

COD ID: 1557530

Formula: - C65 H116 Al2 Cd2 Mo24 N10 O137 P16 -
Comments: Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes Catalysis Science & Technology 10(8) (2020) 2593-2601
Space group: P 1 n 1
Cell volume: 8695.2
Cell parameters: 15.882; 21.676; 25.338; 90; 94.559; 90;

COD ID: 1557861

Formula: - C8 H4 N2 -
Comments: Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence The Journal of Physical Chemistry C (2020)
Space group: P 1 n 1
Cell volume: 679
Cell parameters: 14.125; 3.844; 14.305; 90; 119.046; 90;

COD ID: 1558161
CIF file Original IUCr paper	Formula: - C12 H22 N2 O3 S - Comments: Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François Dipropylammonium 4-aminobenzenesulfonate IUCrData 5(5) (2020) x200659 Space group: P 1 n 1 Cell volume: 732.5 Cell parameters: 10.2564; 6.5369; 10.9683; 90; 95.067; 90;

COD ID: 1559319

Formula: - C44 H72 B N4 Nb O4 -
Comments: Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science (2020)
Space group: P 1 n 1
Cell volume: 4468.3
Cell parameters: 12.535; 17.446; 20.5667; 90; 96.552; 90;

COD ID: 1559869
CIF file	Formula: - C60 H90 S10 - Comments: Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud Flat corannulene: when a transition state becomes a stable molecule Chemical Science 11(48) (2020) 13015-13025 Space group: P 1 n 1 Cell volume: 3295.9 Cell parameters: 10.37; 21.376; 14.87; 90; 90.74; 90;

COD ID: 1561794

Formula: - C29 H35 Cu2 N5 O14 -
Comments: Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal Journal of Solid State Chemistry 230 (2015) 191-198
Space group: P 1 n 1
Cell volume: 1625.15
Cell parameters: 11.4795; 8.8862; 15.9648; 90; 93.708; 90;

COD ID: 1562773

Formula: - C30 H41 B Cu2 N6 O48 W12 -
Comments: Pang, Haijun; Yang, Ming; Kang, Lu; Ma, Huiyuan; Liu, Bo; Li, Shaobin; Liu, Heng An unusual 3D interdigitated architecture assembled from Keggin polyoxometalates and dinuclear copper(II) complexes Journal of Solid State Chemistry 198 (2013) 440-444
Space group: P 1 n 1
Cell volume: 3048.5
Cell parameters: 13.116; 15.76; 14.792; 90; 94.418; 90;

COD ID: 1563016
CIF file	Formula: - C4 H11 B F4 N2 - Comments: Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R. Crystal structure and characterization of the novel hydrogen bonded polar crystal Journal of Solid State Chemistry 187 (2012) 35-44 Space group: P 1 n 1 Cell volume: 732.17 Cell parameters: 8.4324; 9.1762; 9.5654; 90; 98.418; 90;

COD ID: 1563714
CIF file	Formula: - C81 H186 Ag20 O27 P12 Pt Se24 - Comments: Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W. All-selenolate-protected eight-electron platinum/silver nanoclusters. Nanoscale 13(28) (2021) 12143-12148 Space group: P 1 n 1 Cell volume: 8250.1 Cell parameters: 17.9783; 26.4928; 18.7771; 90; 112.71; 90;

COD ID: 1564266
CIF file	Formula: - C69 H56 Cl Cu N2 O2 - Comments: Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization Chemical Science (2021) Space group: P 1 n 1 Cell volume: 5455.2 Cell parameters: 14.4801; 18.5079; 20.3673; 90; 91.94; 90;

COD ID: 1564424
CIF file	Formula: - C15 H15 Co N3 O5 - Comments: Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption Inorganica Chimica Acta 510 (2020) 119728 Space group: P 1 n 1 Cell volume: 812.04 Cell parameters: 6.1722; 12.6903; 10.3679; 90; 90.645; 90;

COD ID: 1565042

Formula: - C20 H36 B N9 O3 -
Comments: Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry Chemical Science (2021)
Space group: P 1 n 1
Cell volume: 1239.31
Cell parameters: 7.3725; 7.2227; 23.4925; 90; 97.826; 90;

COD ID: 1566997
CIF file	Formula: - C23 H26 N2 O S - Comments: Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science 13(22) (2022) 6567-6572 Space group: P 1 n 1 Cell volume: 2064.1 Cell parameters: 7.7413; 10.5757; 25.507; 90; 98.727; 90;

COD ID: 1568697
CIF file	Formula: - C7 H7 N5 - Comments: Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains. Materials horizons 10(6) (2023) 2149-2159 Space group: P 1 n 1 Cell volume: 728.5 Cell parameters: 8.2666; 5.6858; 15.5021; 90; 91.087; 90;

COD ID: 1569086
CIF file Original IUCr paper	Formula: - C13 H16 N2 O5 - Comments: Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. N-Methylserotonin hydrogen oxalate IUCrData 8(5) (2023) x230378 Space group: P 1 n 1 Cell volume: 667.87 Cell parameters: 5.7044; 9.9485; 11.7687; 90; 90.321; 90;

COD ID: 1569199
CIF file	Formula: - C22 H19 Br O3 - Comments: Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T. Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols. Chemical science 14(24) (2023) 6585-6591 Space group: P 1 n 1 Cell volume: 1822.2 Cell parameters: 10.612; 13.2639; 13.3533; 90; 104.195; 90;

COD ID: 1569316

Formula: - C20 H17 Cl2 N4 Sb -
Comments: García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers. Chemical science 14(24) (2023) 6522-6530
Space group: P 1 n 1
Cell volume: 1031.41
Cell parameters: 9.8444; 7.4353; 14.6876; 90; 106.385; 90;

COD ID: 1570317

Formula: - C53 H77 F3 Ge O7 P2 S -
Comments: Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science 14(47) (2023) 13755-13764
Space group: P 1 n 1
Cell volume: 2660.6
Cell parameters: 13.481; 9.414; 21.087; 90; 96.178; 90;

COD ID: 1571316
CIF file	Formula: - C182 H230 N12 O31 - Comments: Andrews, Keith G.; Horton, Peter N.; Coles, Simon J. Programmable synthesis of organic cages with reduced symmetry. Chemical science 15(17) (2024) 6536-6543 Space group: P 1 n 1 Cell volume: 21716.4 Cell parameters: 20.2715; 42.387; 25.285; 90; 91.715; 90;

COD ID: 1571921
CIF file	Formula: - C47 H34 Cl2 N4 O - Comments: Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture. Chemical science 15(29) (2024) 11408-11417 Space group: P 1 n 1 Cell volume: 3531.2 Cell parameters: 12.9051; 10.5743; 25.9985; 90; 95.55; 90;

COD ID: 1571967

Formula: - C29 H25 F7 N2 O4 S2 -
Comments: Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles. Chemical science 15(30) (2024) 12026-12035
Space group: P 1 n 1
Cell volume: 2840.2
Cell parameters: 18.8892; 5.716; 27.6517; 90; 107.953; 90;

COD ID: 1571970

Formula: - C33 H15 Fe5 O14 P -
Comments: Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J. Multi-phosphine-chelated iron-carbide clusters via redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe6(μ6-C)(μ2-CO)4(CO)12]2. Chemical science 15(29) (2024) 11455-11471
Space group: P 1 n 1
Cell volume: 1660.34
Cell parameters: 9.5978; 11.8597; 14.5875; 90; 90.663; 90;

COD ID: 1572762

Formula: - C27 H32.82 N6 O9 Sc -
Comments: Kelderman, Cormac A. A.; Glaser, Owen M.; Whetter, Jennifer N.; Aluicio-Sarduy, Eduardo; Mixdorf, Jason C.; Sanders, Kyana M.; Guzei, Ilia A.; Barnhart, Todd E.; Engle, Jonathan W.; Boros, Eszter Charting the coordinative landscape of the 18F-Sc/44Sc/177Lu triad with the tri-aza-cyclononane (tacn) scaffold. Chemical science 15(43) (2024) 17927-17936
Space group: P 1 n 1
Cell volume: 1341
Cell parameters: 7.9195; 11.7007; 14.6519; 90; 98.998; 90;

COD ID: 1573232
CIF file	Formula: - C9 H5 As S2 - Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135 Space group: P 1 n 1 Cell volume: 891.82 Cell parameters: 6.1248; 11.3296; 12.9122; 90; 95.535; 90;

COD ID: 1573811

Formula: - C39 H29 In N2 O6 S6 -
Comments: Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato Synthesis and characterization of In(III) S-thiobenzoylthioglycolate complexes and their catalytic applications in CO2 fixation and multicomponent synthetic reactions. Dalton transactions (Cambridge, England : 2003) 54(11) (2025) 4518-4529
Space group: P 1 n 1
Cell volume: 1957.14
Cell parameters: 10.9278; 9.492; 19.0268; 90; 97.401; 90;

COD ID: 1574218

Formula: - C66 H54 N2 O2 -
Comments: Chen, Xu-Lang; Yu, Si-Qian; Zheng, Zi-You; Cheng, Zhao-Yi; Chen, An-Na; Liang, Jia-Qi; Sun, Xin; Zheng, Chunyang; Huang, Xiaohuan; Gong, Han-Yuan Adaptive nitrogen-containing buckybowl: a versatile receptor for curved and planar aromatic molecules Chemical Science 16(17) (2025) 7537-7543
Space group: P 1 n 1
Cell volume: 2343.7
Cell parameters: 17.9514; 7.1173; 18.5132; 90; 97.763; 90;

COD ID: 1575237

Formula: - C19 H15 Br O -
Comments: Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers. Chemical science 16(35) (2025) 15964-15976
Space group: P 1 n 1
Cell volume: 1477.51
Cell parameters: 9.7011; 12.6871; 12.0065; 90; 91.03; 90;

COD ID: 1575674

Formula: - C4 H10 B I5 S Si -
Comments: Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration. Chemical science 16(43) (2025) 20329-20343
Space group: P 1 n 1
Cell volume: 820.94
Cell parameters: 7.2014; 10.4366; 10.9255; 90; 91.266; 90;

COD ID: 1575971
CIF file	Formula: - C54 H44 Cu2 F6 N8 O6 S2 - Comments: Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand Inorganics 13(10) (2025) 327 Space group: P 1 n 1 Cell volume: 2478.95 Cell parameters: 11.8459; 19.8379; 11.8919; 90; 117.494; 90;

COD ID: 2000114
CIF file	Formula: - C16 H90 Cd2 Mo12 N4 O72 P8 - Comments: Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B. Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters Journal of Solid State Chemistry 145(1) (1999) 291-301 Space group: P 1 n 1 Cell volume: 3544.32 Cell parameters: 15.123; 12.305; 19.264; 90; 98.62; 90;

COD ID: 2000377
CIF file Original IUCr paper	Formula: - C27 H33 O9 P - Comments: Nemeth, G.; Pinkerton, A. A.; Stowe, J. A.; Ogle, C. A. Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR Acta Crystallographica Section C 48(12) (1992) 2200-2203 Space group: P 1 n 1 Cell volume: 2685.1 Cell parameters: 8.0903; 24.865; 13.442; 90; 96.79; 90;

COD ID: 2000429

Formula: - C24 H21 B F4 N P -
Comments: Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A. Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes Acta Crystallographica Section C 48(11) (1992) 1940-1945
Space group: P 1 n 1
Cell volume: 2192
Cell parameters: 24.6077; 9.0071; 10.069; 90; 100.824; 90;

COD ID: 2000799
CIF file Original IUCr paper	Formula: - C7 H13 N O4 - Comments: Vinković, M.; Dumić, M.; Kamenar, B. (±)-<i>cis</i>-6-Acetylamino-5-hydroxy-1,3-dioxepane Acta Crystallographica Section C 48(7) (1992) 1352-1354 Space group: P 1 n 1 Cell volume: 425.04 Cell parameters: 8.767; 7.117; 7.26; 90; 110.23; 90;

COD ID: 2003270
CIF file Original IUCr paper	Formula: - C18 H15 N O2 - Comments: Kubicki, M.; Borowiak, T.; Antkowiak, W. Z. Hindered Cavity-Shaped <i>N</i>-Oxides Acta Crystallographica Section C 51(3) (1995) 458-461 Space group: P 1 n 1 Cell volume: 1368.6 Cell parameters: 16.092; 7.906; 11.889; 90; 115.2; 90;

COD ID: 2005065

Formula: - C21 H22 N2 O8 Si -
Comments: White, J. M.; Tham, W.-Y.; Green, A. J. Bis(p-nitrobenzoate) Ester of cis-1,1-Dimethylsilacyclohexane-3,4-diol Acta Crystallographica Section C 52(6) (1996) 1493-1496
Space group: P 1 n 1
Cell volume: 4325.4
Cell parameters: 7.2309; 29.517; 20.717; 90; 101.98; 90;

COD ID: 2006502

Formula: - C23 H31 Cl2 N O5 S -
Comments: Görbitz, Carl Henrik; Kazmaier, Uli; Grandel, Roland (±)-tert-Butyl 3-Hydroxy-4-phenyl-2-(p-toluenesulfonylamino)pentanoate–Dichloromethane (1/1): a Pseudo Centre of Symmetry in an Enantiomeric Pair Acta Crystallographica Section C 53(9) (1997) 1302-1305
Space group: P 1 n 1
Cell volume: 2590.3
Cell parameters: 14.4318; 10.2646; 17.997; 90; 103.689; 90;

COD ID: 2006648
CIF file Original IUCr paper	Formula: - C13 H12 Cl N O3 - Comments: Moreno-Fuquen, Rodolfo; Grajales-Tamayo, Mario; Gambardella, Maria Teresa do Prado The 1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 3-Chlorobenzoic Acid Acta Crystallographica Section C 53(11) (1997) 1635-1637 Space group: P 1 n 1 Cell volume: 634.98 Cell parameters: 3.9241; 13.0404; 12.4181; 90; 92.21; 90;

COD ID: 2008800

Formula: - C42 H34 O2 P2 Pt -
Comments: Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes Acta Crystallographica Section C 55(8) (1999) 1272-1275
Space group: P 1 n 1
Cell volume: 1672.7
Cell parameters: 9.0064; 10.8717; 17.585; 90; 103.717; 90;

COD ID: 2008801

Formula: - C42 H34 P2 Pt S2 -
Comments: Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes Acta Crystallographica Section C 55(8) (1999) 1272-1275
Space group: P 1 n 1
Cell volume: 1739.2
Cell parameters: 9.0177; 10.9977; 17.9351; 90; 102.093; 90;

COD ID: 2008958

Formula: - Ge Na2 O4 Zn -
Comments: Healey, Adam M.; Webster, Michael; Weller, Mark T. Disodium zinc germanium tetraoxide Acta Crystallographica Section C 55(9) (1999) IUC9900099
Space group: P 1 n 1
Cell volume: 212.74
Cell parameters: 7.1535; 5.5819; 5.3279; 90; 89.934; 90;

COD ID: 2009176

Formula: - C4 H6 N2 O2 -
Comments: Kresge, A. J.; Lough, Alan J.; Popik, V. V. 2-Hydroxy-N-methylcyanoacetamide Acta Crystallographica Section C 55(11) (1999) IUC9900140
Space group: P 1 n 1
Cell volume: 268.77
Cell parameters: 7.9452; 3.9485; 8.7627; 90; 102.119; 90;

COD ID: 2010018
CIF file Original IUCr paper	Formula: - Ba Co S2 - Comments: Norman C. Baenziger; Larry Grout; Lee S. Martinson; John W. Schweitzer BaCoS~2~ Acta Crystallographica Section C 50(9) (1994) 1375-1377 Space group: P 1 n 1 Cell volume: 186.77 Cell parameters: 4.573; 8.937; 4.57; 90; 90.43; 90;

COD ID: 2010330
CIF file Original IUCr paper	Formula: - C40 H30 N2 P2 Pd S2 - Comments: Ebihara, Masahiro; Tsuchiya, Masaki; Kawamura, Takashi A distorted planar palladium complex with maleonitriledithiolato and triphenylphosphine ligands, [Pd(PPh~3~)~2~(mnt)] Acta Crystallographica Section C 50(12) (1994) 1880-1882 Space group: P 1 n 1 Cell volume: 1775.4 Cell parameters: 9.119; 11.039; 17.971; 90; 101.07; 90;

COD ID: 2010735

Formula: - C12 H24 Br2 N2 O2 Sn -
Comments: König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I) Acta Crystallographica Section C 56(3) (2000) 324-326
Space group: P 1 n 1
Cell volume: 898.4
Cell parameters: 7.475; 8.03; 14.977; 90; 91.98; 90;

COD ID: 2010736

Formula: - C12 H24 I2 N2 O2 Sn -
Comments: König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I) Acta Crystallographica Section C 56(3) (2000) 324-326
Space group: P 1 n 1
Cell volume: 948.8
Cell parameters: 7.396; 8.327; 15.406; 90; 90.31; 90;

COD ID: 2012660

Formula: - C21 H15 Ir3 Mo O11 -
Comments: Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G. Undecacarbonyl(methylcyclopentadienyl)-tetrahedro-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-tetrahedro-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-tetrahedro-triiridiummolybdenum Acta Crystallographica Section C 58(4) (2002) m249-m251
Space group: P 1 n 1
Cell volume: 1267
Cell parameters: 10.922; 10.226; 11.725; 90; 104.64; 90;

COD ID: 2012692

Formula: - Nb2 P Rb S10 -
Comments: Changkeun Kim; Hoseop Yun A new quaternary thiophosphate, RbNb~2~(S~2~)~3~(PS~4~) Acta Crystallographica Section C 58(5) (2002) i53-i54
Space group: P 1 n 1
Cell volume: 662.2
Cell parameters: 12.773; 7.529; 7.108; 90; 104.37; 90;

COD ID: 2012957

Formula: - C38 H21 N5 O10 S4 -
Comments: Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Low, John N.; Quesada, Antonio N,N'-Dithiobisphthalimide–nitrobenzene (2/1): a Pn solvate with localized solvent molecules ordered head-to-tail in channels Acta Crystallographica Section C 58(9) (2002) o551-o554
Space group: P 1 n 1
Cell volume: 1768.26
Cell parameters: 7.707; 16.1001; 14.3067; 90; 95.077; 90;

COD ID: 2013367

Formula: - C19 H30 Co N5 O4 -
Comments: Pickin, Kerry A.; Day, Cynthia S.; Wright, Marcus W.; Welker, Mark E. trans-Bis(dimethylglyoximato-κ^2^N,N')(1-hexenyl)(pyridine-κN)cobalt(III): a cobaloxime-substituted terminal alkene that rapidly isomerizes to a cobaloxime-substituted internal alkenyl complex Acta Crystallographica Section C 59(5) (2003) m193-m195
Space group: P 1 n 1
Cell volume: 1069.5
Cell parameters: 8.268; 11.757; 11.0253; 90; 93.721; 90;

COD ID: 2013647

Formula: - C4 H9 N O4 S -
Comments: Maurin, Jan K.; Pawłowski, Michał; Czarnocki, Zbigniew Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate Acta Crystallographica Section C 59(11) (2003) o656-o658
Space group: P 1 n 1
Cell volume: 367.01
Cell parameters: 7.0429; 4.8135; 10.9047; 90; 96.885; 90;

COD ID: 2013802

Formula: - C14 H8 N2 O4 -
Comments: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. A three-dimensional hydrogen-bonded framework in N-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in N-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions Acta Crystallographica Section C 60(1) (2004) o24-o27
Space group: P 1 n 1
Cell volume: 579.95
Cell parameters: 6.665; 3.6962; 23.639; 90; 95.208; 90;

COD ID: 2014315
CIF file Original IUCr paper	Formula: - C18 H16 N2 O3 - Comments: Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A. 1-(1<i>H</i>-Indol-3-ylcarbonyl)-<i>N</i>-(4-methoxybenzyl)formamide Acta Crystallographica Section C 62(3) (2006) o153-o154 Space group: P 1 n 1 Cell volume: 727.54 Cell parameters: 4.9402; 5.6847; 25.9862; 90; 94.495; 90;

COD ID: 2014475

Formula: - C8 H9 N O6 -
Comments: Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki 2-Pyridone–tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate Acta Crystallographica, Section C: Crystal Structure Communications 60(10) (2004) o717-o722
Space group: P 1 n 1
Cell volume: 454
Cell parameters: 4.0607; 13.144; 8.696; 90; 101.99; 90;

COD ID: 2014732

Formula: - C11 H17 N3 O3 -
Comments: da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher 5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and four amino derivatives Acta Crystallographica Section C 61(1) (2005) o15-o20
Space group: P 1 n 1
Cell volume: 592.56
Cell parameters: 4.1085; 8.4497; 17.1272; 90; 94.721; 90;

COD ID: 2015603

Formula: - C47 H28 N8 O Zn -
Comments: Sankar Muniappan; Sophia Lipstman; Israel Goldberg Supramolecular assembly of (methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II) by intermolecular hydrogen bonding and weak coordination Acta Crystallographica Section C 62(10) (2006) m477-m479
Space group: P 1 n 1
Cell volume: 1848.43
Cell parameters: 9.2505; 9.66; 21.1032; 90; 101.422; 90;

COD ID: 2015735

Formula: - C27 H30 Cl N O2 P2 Pd S -
Comments: Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H. Two square-planar palladium(II) complexes with P,O-bidentate hybrid ligands Acta Crystallographica Section C 63(1) (2007) m7-m9
Space group: P 1 n 1
Cell volume: 1415.61
Cell parameters: 11.5432; 9.5417; 13.1351; 90; 101.904; 90;

COD ID: 2017437

Formula: - C22 H14 N2 O5 -
Comments: Titi, Hatem M.; Goldberg, Israel Hydrogen bonding and π–π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine Acta Crystallographica Section C 65(12) (2009) o639-o644
Space group: P 1 n 1
Cell volume: 836.38
Cell parameters: 5.3881; 8.3227; 18.6514; 90; 90.3794; 90;

COD ID: 2018157

Formula: - C22 H20 Cd N4 O6 -
Comments: Zhou, Shi; Li, Chuan-Bi; Wang, Qing-Wei; Ng, Seik Weng Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^N^3^:N^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato-κ^4^O^1^,O^1'^:O^3^,O^3'^)cadmium(II)], a twofold interpenetrated CdSO~4~-like metal‒organic polymer Acta Crystallographica Section C 67(7) (2011) m224-m226
Space group: P 1 n 1
Cell volume: 1042.16
Cell parameters: 11.58; 8.4221; 11.6393; 90; 113.354; 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: 2019011

Formula: - C32 H76 B Li O4 Si4 -
Comments: Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram An approach to creating novel anions: silylated triel compounds with –CH~2~– and –O– linkers, [InCl~2~{O(HO)Si(t-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~] Acta Crystallographica Section C 69(6) (2013) 569-572
Space group: P 1 n 1
Cell volume: 2244.8
Cell parameters: 10.5661; 11.7334; 18.1342; 90; 93.153; 90;

COD ID: 2019678

Formula: - C62 H42 Cu F20 O4 -
Comments: Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka Three p-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II) Acta Crystallographica Section C 70(10) (2014) 960-964
Space group: P 1 n 1
Cell volume: 2793.1
Cell parameters: 13.8034; 14.2545; 14.9313; 90; 108.061; 90;

COD ID: 2019731

Formula: - C6 H5 Cl N2 O2 -
Comments: Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline Acta Crystallographica Section C 70(12) (2014)
Space group: P 1 n 1
Cell volume: 1427.73
Cell parameters: 12.726; 7.9721; 15.0098; 90; 110.352; 90;

COD ID: 2019733

Formula: - C6 H5 I N2 O2 -
Comments: Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline Acta Crystallographica Section C 70(12) (2014)
Space group: P 1 n 1
Cell volume: 1542.86
Cell parameters: 12.5188; 8.2955; 15.9287; 90; 111.141; 90;

COD ID: 2020157
CIF file	Formula: - Be F3 H4 N - Comments: Waskowska, A. Ammonium trifluoroberyllate(II), (N H4) (Be F3), at room temperature Acta Crystallographica C (39,1983-) 39 (1983) 1167-1169 Space group: P 1 n 1 Cell volume: 341.646 Cell parameters: 5.77; 4.619; 12.819; 90; 90.12; 90;

COD ID: 2021725

Formula: - C44 H34 Co2 N8 O8 -
Comments: Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 n 1
Cell volume: 1992
Cell parameters: 10.4597; 12.798; 15.0545; 90; 98.709; 90;

COD ID: 2021746

Formula: - C39 H41 B N2 O -
Comments: Wang, Shengpei; Yu, Shasha; Feng, Jianxiang; Liu, Shenggao A highly efficient antioxidant based on boron and a Schiff base bridged phenolic diphenylamine: synthesis, crystal structure and thermal and antioxidant properties Acta Crystallographica Section C 75(9) (2019)
Space group: P 1 n 1
Cell volume: 1603.37
Cell parameters: 10.673; 10.0539; 15.0271; 90; 96.095; 90;

COD ID: 2021804

Formula: - C16 H9 N3 O3 -
Comments: Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D. Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-ones Acta Crystallographica Section C 75(11) (2019)
Space group: P 1 n 1
Cell volume: 635.2
Cell parameters: 3.7788; 9.9655; 16.899; 90; 93.466; 90;

COD ID: 2022743

Formula: - C28 H35 N O5 -
Comments: Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol. Acta crystallographica. Section E, Crystallographic communications 79(Pt 5) (2023) 451-457
Space group: P 1 n 1
Cell volume: 1240.24
Cell parameters: 6.2398; 14.7216; 13.5383; 90; 94.229; 90;

COD ID: 2022831

Formula: - C16 H12 Cl N3 -
Comments: Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine Acta Crystallographica Section E Crystallographic Communications 79(8) (2023) 762-766
Space group: P 1 n 1
Cell volume: 1378.42
Cell parameters: 7.7968; 12.0926; 14.8738; 90; 100.601; 90;

COD ID: 2101908
CIF file Original IUCr paper	Formula: - C17 H16 N4 - Comments: Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M. Structural Studies of a Series of Organic Non-Linear Optical Materials Acta Crystallographica Section B 53(5) (1997) 812-821 Space group: P 1 n 1 Cell volume: 720.5 Cell parameters: 6.97; 14.233; 7.633; 90; 107.91; 90;

COD ID: 2102931

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P 1 n 1
Cell volume: 418.1
Cell parameters: 12.419; 4.0397; 8.824; 90; 109.181; 90;

COD ID: 2102934

Formula: - C4 Br4 S -
Comments: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing Acta Crystallographica Section B 63(5) (2007) 783-790
Space group: P 1 n 1
Cell volume: 411.9
Cell parameters: 12.376; 4.004; 8.816; 90; 109.452; 90;

COD ID: 2103114

Formula: - C26 H24 Cl3 N4 P3 -
Comments: Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin Structural investigations of phosphorus–nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene Acta Crystallographica, Section B: Structural Science 58(3) (2002) 545-552
Space group: P 1 n 1
Cell volume: 1370.5
Cell parameters: 11.657; 8.5838; 13.783; 90; 96.41; 90;

COD ID: 2103292

Formula: - C42 H42 I2 P2 Pt -
Comments: Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke Structures of trans-[PtCl~2~(PBz~3~)~2~], trans-[PtI~2~(PBz~3~)~2~], trans-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and trans-[PdI~2~(PBz~3~)~2~] Acta Crystallographica Section B 58(2) (2002) 244-250
Space group: P 1 n 1
Cell volume: 1967.3
Cell parameters: 11.256; 9.985; 18.126; 90; 105.05; 90;

COD ID: 2103294

Formula: - C42 H42 I2 P2 Pd -
Comments: Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke Structures of trans-[PtCl~2~(PBz~3~)~2~], trans-[PtI~2~(PBz~3~)~2~], trans-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and trans-[PdI~2~(PBz~3~)~2~] Acta Crystallographica Section B 58(2) (2002) 244-250
Space group: P 1 n 1
Cell volume: 1968
Cell parameters: 11.274; 9.994; 18.073; 90; 104.88; 90;

COD ID: 2106243
CIF file	Formula: - Mg Na2 O4 Si - Comments: Baur, W.H.; Shannon, R.D.; Ohta, T. Structure of magnesium disodium silicate Na2 Mg Si O4 and ionic conductivity in tetrahedral structures Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1483-1491 Space group: P 1 n 1 Cell volume: 202.354 Cell parameters: 7.015; 5.484; 5.26; 90; 89.97; 90;

COD ID: 2106906
CIF file	Formula: - B5 H12 N O12 - Comments: Domenech, M. V.; Solans, X.; Solans, J. The alpha Phase of Ammonium Pentaborate Tetrahydrate Acta Crystallographica B (24,1968-38,1982) 37 (1981) 643-645 Space group: P 1 n 1 Cell volume: 568.926 Cell parameters: 7.115; 11.301; 7.183; 90; 99.92; 90;

COD ID: 2107041
CIF file	Formula: - D3 Li O6 Se2 - Comments: Liminga, R.; Tellgren, R. A Neutron Diffraction Study of the Ferroelectric State of Deuterated Lithium Trihydrogenselenite, Li D3 (Se O3)2 Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1551-1554 Space group: P 1 n 1 Cell volume: 259.779 Cell parameters: 6.2473; 7.903; 5.4471; 90; 104.995; 90;

COD ID: 2107072
CIF file	Formula: - Li O3 P - Comments: Guitel, J.C.; Tordjman, I. Structure cristalline du polyphosphate de lithium, Li P O3 Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2960-2966 Space group: P 1 n 1 Cell volume: 1149.42 Cell parameters: 16.453; 5.405; 13.086; 90; 98.99; 90;

COD ID: 2108013

Formula: - H O4 Rb S -
Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863
Space group: P 1 n 1
Cell volume: 824.66
Cell parameters: 14.2651; 4.5853; 14.2789; 90; 117.999; 90;

COD ID: 2108018
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 n 1 Cell volume: 826.4 Cell parameters: 14.166; 4.5982; 14.326; 90; 117.68; 90;

COD ID: 2108541

Formula: - F7 H12 N5 O Ru Si -
Comments: Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes Acta Crystallographica Section B 75(6) (2019)
Space group: P 1 n 1
Cell volume: 481
Cell parameters: 6.7036; 7.426; 10.1296; 90; 107.469; 90;

COD ID: 2108637

Formula: - C22 H17 F4 N O -
Comments: Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B 76(4) (2020)
Space group: P 1 n 1
Cell volume: 883.9
Cell parameters: 7.6714; 7.1287; 16.428; 90; 100.298; 90;

COD ID: 2200154

Formula: - C40 H46 Cl4 Cu N6 O -
Comments: Braitenbach, Kristin; Parvez, Masood Chlorobis(clemizole)copper(II) chloride ethanol solvate Acta Crystallographica Section E 57(2) (2001) m67-m69
Space group: P 1 n 1
Cell volume: 2137
Cell parameters: 12.809; 8.608; 19.482; 90; 95.81; 90;

COD ID: 2200462

Formula: - C47 H44 N O4 P3 -
Comments: Kruszynski, Rafal; Wieczorek, Wanda Polymorphic form of 1,3,5-tris[(diphenylphosphine oxide)methyl]benzene acetonitrile solvate monohydrate Acta Crystallographica Section E 57(7) (2001) o624-o626
Space group: P 1 n 1
Cell volume: 2045
Cell parameters: 15.3382; 8.6418; 15.9748; 90; 105.034; 90;

COD ID: 2201563

Formula: - C8 H6 Cl3 N O -
Comments: Mahalakshmi, L.; Upadhyaya, V.; Guru Row, T. N. 2,4,5-Trichloroacetanilide Acta Crystallographica Section E 58(8) (2002) o946-o947
Space group: P 1 n 1
Cell volume: 468.42
Cell parameters: 3.9015; 12.658; 9.6687; 90; 101.186; 90;

COD ID: 2201569

Formula: - C11 H15 N O -
Comments: Upadhyaya, V.; Mahalakshmi, L.; Guru Row, T. N. 2,4,6-Trimethylacetanilide Acta Crystallographica Section E 58(9) (2002) o997-o998
Space group: P 1 n 1
Cell volume: 532.1
Cell parameters: 8.2; 8.538; 8.295; 90; 113.626; 90;

COD ID: 2201593

Formula: - C17 H19 N2 O2 P S2 -
Comments: Sheng-Lou Deng; Dong-Zhi Liu; Wei Li 2-(p-Methoxyphenyl)-3-[o-(methylaminothiocarbonyl)phenyl]-1,3,2-oxazaphospholidine 2-sulfide Acta Crystallographica Section E 58(12) (2002) o1430-o1431
Space group: P 1 n 1
Cell volume: 3805.2
Cell parameters: 9.905; 19.091; 20.384; 90; 99.18; 90;

COD ID: 2203181

Formula: - C7 H19 Cl2 Ir O P2 -
Comments: Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen; George R. Whittell Carbonyldichlorohydridobis(trimethylphosphine)iridium(III) Acta Crystallographica Section E 60(2) (2004) m164-m165
Space group: P 1 n 1
Cell volume: 726.4
Cell parameters: 6.472; 13.156; 8.598; 90; 97.157; 90;

COD ID: 2203197
CIF file Original IUCr paper	Formula: - C34 H40 Ag B F4 S4 - Comments: Miao Du; Xiao-Jun Zhao The two-dimensional coordination polymer poly[[silver(I)-di-μ-1,5-bis(phenylsulfanyl)pentane] tetrafluoroborate] Acta Crystallographica Section E 60(2) (2004) m193-m195 Space group: P 1 n 1 Cell volume: 1746.7 Cell parameters: 9.209; 10.182; 19.158; 90; 103.507; 90;

COD ID: 2204166

Formula: - C21 H30 N2 O -
Comments: Parrish, Damon A.; Deschamps, Jeffrey R.; Jiang, Faming; Zaveri, Nurulain T. A novel receptor ligand: 1-(1-cyclooctylpiperidin-4-yl)indolin-2-one Acta Crystallographica Section E 60(9) (2004) o1571-o1572
Space group: P 1 n 1
Cell volume: 947.7
Cell parameters: 5.917; 16.5865; 9.9576; 90; 104.128; 90;

COD ID: 2204194

Formula: - C10 H12 N2 O4 -
Comments: Efrén V. García-Báez; Beatriz A. López-Romero; Francisco J. Martínez-Martínez; Herbert Höpfl; Itzia I. Padilla-Martínez Dimethyl N,N'-(1,2-phenylene)dicarbamate Acta Crystallographica Section E 60(9) (2004) o1488-o1490
Space group: P 1 n 1
Cell volume: 525
Cell parameters: 9.3056; 4.84; 11.843; 90; 100.181; 90;

COD ID: 2206189

Formula: - C4 H17 N2 O12 P3 Zn2 -
Comments: Zabukovec Logar, Nataša; Rajić, Nevenka; Stojaković, Djordje; Šajić, Sanja; Golobič, Amalija; Kaučič, Venčeslav (C~4~H~12~N~2~)[Zn~2~(PO~4~)(HPO~4~)(H~2~PO~4~)], a layered zinc phosphate with intercalated N-methylpropane-1,3-diaminium cations Acta Crystallographica Section E 61(7) (2005) m1354-m1356
Space group: P 1 n 1
Cell volume: 743.48
Cell parameters: 11.892; 5.1318; 12.3063; 90; 98.125; 90;

COD ID: 2206897

Formula: - C15 H25 F2 N O4 -
Comments: John Fawcett; Jonathan M Percy; Stéphane Pintat; Clive A Smith; Emi Uneyama (1S*,2S*,4S*)-3,3-Difluoro-2,4-dihydroxy-5,5-dimethylcyclooct-5(Z)-en-1-yl N,N-diethylcarbamate Acta Crystallographica Section E 61(10) (2005) o3319-o3321
Space group: P 1 n 1
Cell volume: 795.1
Cell parameters: 7.9651; 6.4632; 15.445; 90; 90.136; 90;

COD ID: 2209750

Formula: - C16 H19 N2 O5 P S -
Comments: Demoin, Dustin Wayne; Pluth, Michael; Soo, Han Sen; Xu, Yue Dimethoxyphosphinoyl phenyl ketone p-tolylsulfonylhydrazone Acta Crystallographica Section E 62(8) (2006) o3551-o3552
Space group: P 1 n 1
Cell volume: 892.8
Cell parameters: 8.4692; 10.889; 9.69; 90; 92.514; 90;

COD ID: 2210600

Formula: - C13 H8 Br Cl O S -
Comments: Yathirajan, H. S.; Ashalatha, B.; Narayana, B.; Bindya, S.; Bolte, Michael (2E)-1-(3-Bromo-2-thienyl)-3-(4-chlorophenyl)prop-2-en-1-one, a twinned crystal structure Acta Crystallographica Section E 62(10) (2006) o4551-o4553
Space group: P 1 n 1
Cell volume: 1258.7
Cell parameters: 17.955; 3.9563; 17.973; 90; 99.646; 90;

COD ID: 2210904

Formula: - C12 H9 Cl N4 O -
Comments: Xue-Fang Shi; Cui-Cui Yuan N'-(2-Chlorobenzylidene)pyrazine-2-carbohydrazide Acta Crystallographica Section E 62(11) (2006) o5232-o5233
Space group: P 1 n 1
Cell volume: 580.26
Cell parameters: 6.7912; 3.8852; 22.113; 90; 95.999; 90;

COD ID: 2211284

Formula: - C10 H11 Cl2 N O2 -
Comments: Chen, Yun-Feng; Cao, Li-Ping; Qin, Jing 1,2-Bis(chloromethyl)-4,5-dimethyl-3-nitrobenzene Acta Crystallographica Section E 62(12) (2006) o5724-o5725
Space group: P 1 n 1
Cell volume: 566
Cell parameters: 8.35; 4.5282; 15.37; 90; 103.118; 90;

COD ID: 2211881

Formula: - C22 H22 Br Cu N3 O5 -
Comments: Liu, Zheng; Zhang, Shu-Hua; Feng, Xiao-Zhen; Li, Guang-Zhao; Lin, Yuan-Bin {3-[(E)-(5-Bromo-2-oxidophenyl)methylamino]propanoato-κ^3^O,N,O'}(1,10-phenanthroline-κ^2^N,N')copper(II) dihydrate Acta Crystallographica Section E 63(1) (2007) m156-m158
Space group: P 1 n 1
Cell volume: 1098.5
Cell parameters: 11.12; 5.3808; 18.393; 90; 93.47; 90;

COD ID: 2212109

Formula: - C16 H19 O P -
Comments: Caddy, Judy; Coyanis, E. Mabel; Lemmerer, Andreas; Khanye, Setshaba D.; Omondi, Bernard Butyldiphenylphosphine oxide Acta Crystallographica Section E 63(2) (2007) o1032-o1033
Space group: P 1 n 1
Cell volume: 708.69
Cell parameters: 8.1289; 5.9814; 14.6; 90; 93.326; 90;

COD ID: 2212471

Formula: - F H6 N Na O4 P -
Comments: Fábry, Jan; Dušek, Michal; Krupková, Radmila Ammonium sodium fluorotrioxophosphate monohydrate Acta Crystallographica Section E 63(3) (2007) i92-i94
Space group: P 1 n 1
Cell volume: 269.54
Cell parameters: 6.0515; 9.0167; 4.9402; 90; 90.737; 90;

COD ID: 2213147

Formula: - C12 H18 O5 -
Comments: Burton, Sylvester; Fronczek, Frank R.; Maverick, Andrew W. 1,1',1''-[(5RS,6RS)-6-Hydroxy-6-methyl-3,4,5,6-tetrahydro-2H-pyran-3,3,5-triyl]triethanone Acta Crystallographica Section E 63(5) (2007) o2661-o2662
Space group: P 1 n 1
Cell volume: 613.8
Cell parameters: 7.598; 8.813; 9.169; 90; 91.26; 90;

COD ID: 2214016

Formula: - C16 H22 Cl2 O2 S2 Sn -
Comments: Sadiq-ur-Rehman; Saeed, Sadia; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine Dichloridobis(dimethyl sulfoxide-κO)diphenyltin(IV) Acta Crystallographica Section E 63(7) (2007) m1788-m1788
Space group: P 1 n 1
Cell volume: 988.24
Cell parameters: 9.8877; 7.9766; 12.588; 90; 95.506; 90;

COD ID: 2215608

Formula: - C8 H22 Cl Cr N4 O5 -
Comments: Zhang, Li-Fang; Kou, Jian-Yi; Kou, Hui-Zhong (Oxalato-κ^2^O,O')bis(propane-1,3-diamine-κ^2^N,N')chromium(III) chloride monohydrate Acta Crystallographica Section E 63(10) (2007) m2457-m2458
Space group: P 1 n 1
Cell volume: 1448.4
Cell parameters: 8.9532; 12.038; 13.645; 90; 99.973; 90;

COD ID: 2215676

Formula: - C17.97 H18.91 Br0.03 N O3.97 -
Comments: Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash 1-(4-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒1-(4-aminophenyl)-3-(3-bromo-4,5-trimethoxyphenyl)prop-2-en-1-one (0.972/0.028) Acta Crystallographica Section E 63(10) (2007) o3970-o3970
Space group: P 1 n 1
Cell volume: 790.99
Cell parameters: 4.2227; 12.2001; 15.4865; 90; 97.506; 90;

COD ID: 2217444

Formula: - C8 H15 Cl2 Co N4 O4 -
Comments: P. Ramesh; A. SubbiahPandi; P. Jothi; C. Revathi; A. Dayalan Dichlorido(dimethylglyoximato-κ^2^N,N')(dimethylglyoxime-κ^2^N,N')cobalt(III) Acta Crystallographica Section E 64(2) (2008) m300-m301
Space group: P 1 n 1
Cell volume: 680.03
Cell parameters: 8.1901; 8.1261; 10.4463; 90; 102.007; 90;

COD ID: 2218690

Formula: - C4 H6 Cl2 Cu N2 O2 -
Comments: Kurawa, Mukhtar A.; Adams, Christopher J.; Orpen, A. Guy cis-Aquadichlorido[pyrimidin-2(1H)-one-κN^3^]copper(II) Acta Crystallographica Section E 64(7) (2008) m969
Space group: P 1 n 1
Cell volume: 372.39
Cell parameters: 9.6104; 3.7942; 10.7375; 90; 107.991; 90;

COD ID: 2219461

Formula: - C12 H14 N2 O2 -
Comments: Xu, Guang-Hai; Wang, Wei Ethyl 2-(2-methyl-1H-benzimidazol-1-yl)acetate Acta Crystallographica Section E 64(9) (2008) o1811
Space group: P 1 n 1
Cell volume: 573.9
Cell parameters: 10.854; 4.7959; 11.842; 90; 111.42; 90;

COD ID: 2219539

Formula: - C15 H16 N2 O5 -
Comments: Lu, Jiu-Fu 4-Hydroxy-N'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate Acta Crystallographica Section E 64(10) (2008) o2032
Space group: P 1 n 1
Cell volume: 732.8
Cell parameters: 4.891; 12.171; 12.371; 90; 95.724; 90;

COD ID: 2219630

Formula: - C12 H10 N2 O -
Comments: Zhuang, Yu-Guo; Jiang, Hua-Jiang; Hong, Zhi; Qiu, Fang-Li N-Phenylpyridine-2-carbamide Acta Crystallographica Section E 64(10) (2008) o1904
Space group: P 1 n 1
Cell volume: 500.74
Cell parameters: 5.7469; 6.2382; 14.0158; 90; 94.752; 90;

COD ID: 2220119

Formula: - C21 H26 N2 O4 -
Comments: Yeap, Chin Sing; Kargar, Hadi; Kia, Reza; Fun, Hoong-Kun 5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol Acta Crystallographica Section E 64(12) (2008) o2389-o2390
Space group: P 1 n 1
Cell volume: 3829.22
Cell parameters: 10.294; 11.8173; 31.5327; 90; 93.373; 90;

COD ID: 2220637

Formula: - C16 H17 Co N3 O6 -
Comments: Ng, Hwa Loong; Ng, Chew Hee; Ng, Seik Weng Aqua(iminodiacetato-κ^3^O,N,O')(1,10-phenanthroline-κ^2^N,N')cobalt(II) monohydrate Acta Crystallographica Section E 65(1) (2009) m41
Space group: P 1 n 1
Cell volume: 817.49
Cell parameters: 6.7884; 12.0903; 10.4945; 90; 108.357; 90;

COD ID: 2223113

Formula: - C16 H12 N2 O3 -
Comments: Zhang, Yuan; Li, Yong Hua 8-(4-Nitrobenzyloxy)quinoline Acta Crystallographica Section E 65(9) (2009) o2270
Space group: P 1 n 1
Cell volume: 662.7
Cell parameters: 4.176; 7.395; 21.513; 90; 94.08; 90;

COD ID: 2223561

Formula: - C16 H10 O5 -
Comments: Li, Wenkuan; Yin, Handong; Wen, Liyuan; Li, Kang; Fan, Weidong 3,3'-Oxybi[isobenzofuran-1(3H)-one] Acta Crystallographica Section E 65(10) (2009) o2577
Space group: P 1 n 1
Cell volume: 641.24
Cell parameters: 4.4449; 6.4937; 22.222; 90; 91.334; 90;

COD ID: 2224486

Formula: - C32 H27 N3 O5 Zn -
Comments: Li, Wei; Lu, Zhan Guo Diacetato{4'-[4-(benzyloxy)phenyl]-2,2':6',2''-terpyridine}zinc(II) Acta Crystallographica Section E 65(12) (2009) m1672
Space group: P 1 n 1
Cell volume: 1366.7
Cell parameters: 8.3959; 15.564; 10.702; 90; 102.23; 90;

COD ID: 2225170

Formula: - C27 H27 N7 O6 -
Comments: Habibi, Mohammad Hossein; Abarghooei-Shirazi, Narges; Yamane, Yuki; Suzuki, Takayoshi N,N'-Bis(3-nitrobenzylidene)-2,2'-[2-(3-nitrophenyl)imidazolidine-1,3-diyl]diethanamine Acta Crystallographica Section E 66(3) (2010) o501
Space group: P 1 n 1
Cell volume: 2687.8
Cell parameters: 13.3411; 10.4347; 19.8517; 90; 103.446; 90;

COD ID: 2226617

Formula: - C14 H10 N2 O S -
Comments: Asiri, Abdullah M.; Khan, Salman A.; Tan, Kong Wai; Ng, Seik Weng A monoclinic modification of 2-[(1,3-benzothiazol-2-yl)iminomethyl]phenol Acta Crystallographica Section E 66(7) (2010) o1826
Space group: P 1 n 1
Cell volume: 582.97
Cell parameters: 8.6391; 6.2313; 11.4459; 90; 108.893; 90;

COD ID: 2226754

Formula: - C22 H38 Cu F6 N4 P3 -
Comments: Öztopcu, Özgür; Kirchner, Karl; Mereiter, Kurt Bis{2-[(diisopropylphosphanyl)amino]pyridine-κ^2^N^1^,P}copper(I) hexafluoridophosphate Acta Crystallographica Section E 66(7) (2010) m729-m730
Space group: P 1 n 1
Cell volume: 1456.8
Cell parameters: 11.0357; 9.2129; 14.4282; 90; 96.723; 90;

COD ID: 2227006

Formula: - C10 H20 N2 O8 -
Comments: Liu, Ling-Li Piperazine-1,4-diium 2-(carboxymethyl)-2-hydroxybutanedioate monohydrate Acta Crystallographica Section E 66(8) (2010) o2191
Space group: P 1 n 1
Cell volume: 655.41
Cell parameters: 9.2055; 6.8314; 11.2443; 90; 112.047; 90;

COD ID: 2227419

Formula: - C10 H8 Br4 N2 Pt -
Comments: Ha, Kwang (2,2'-Bipyridine-κ^2^N,N')tetrabromidoplatinum(IV) Acta Crystallographica Section E 66(10) (2010) m1213
Space group: P 1 n 1
Cell volume: 703.91
Cell parameters: 8.3146; 6.901; 12.5873; 90; 102.94; 90;

COD ID: 2229903

Formula: - C37 H56 Ag Cl3 O4 P2 -
Comments: Munyaneza, Apollinaire; Meijboom, Reinout; Omondi, Bernard Bis[dicyclohexyl(phenyl)phosphane-κP]silver(I) perchlorate dichloromethane monosolvate Acta Crystallographica Section E 67(4) (2011) m483-m484
Space group: P 1 n 1
Cell volume: 1943.15
Cell parameters: 9.591; 13.4369; 15.129; 90; 94.706; 90;

COD ID: 2230917

Formula: - C88 H56 N8 Nb2 O3 -
Comments: Soury, Raoudha; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib Tri-μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato-κ^4^N)niobium(V)] Acta Crystallographica Section E 67(7) (2011) m862-m863
Space group: P 1 n 1
Cell volume: 3446.9
Cell parameters: 14.4823; 18.4007; 14.6257; 90; 117.823; 90;

COD ID: 2233527

Formula: - C17 H28 Co N5 O4 -
Comments: Kumar, Sarvendra; Thapa, Suresh Butylbis(dimethylglyoximato-κ^2^N,N')(pyridine-κN)cobalt(III) Acta Crystallographica Section E 68(2) (2012) m156-m157
Space group: P 1 n 1
Cell volume: 999.6
Cell parameters: 8.365; 10.408; 11.487; 90; 91.768; 90;

COD ID: 2233753

Formula: - C16 H11 Br O -
Comments: Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T. (2E)-2-(4-Bromobenzylidene)-2,3-dihydro-1H-inden-1-one Acta Crystallographica Section E 68(3) (2012) o755
Space group: P 1 n 1
Cell volume: 617.62
Cell parameters: 6.1359; 4.7512; 21.31; 90; 96.195; 90;

COD ID: 2233890

Formula: - C4 O S5 -
Comments: Wen, Hua-Wen; Fan, Li-Xia; Liu, Li; Li, Ao; Fang, Qi 5-Sulfanylidene-2H,5H-1,3-dithiolo[4,5-d][1,3]dithiol-2-one Acta Crystallographica Section E 68(3) (2012) o721
Space group: P 1 n 1
Cell volume: 373.11
Cell parameters: 3.9638; 11.0211; 8.711; 90; 101.344; 90;

COD ID: 2235586

Formula: - C14 H24 N2 Ni O12 -
Comments: Wang, Huan-Huan; Duan, Guang-He; Wang, Lin; Xie, Ya-Bo Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato-κ^2^N,N'}nickel(II) tetrahydrate Acta Crystallographica Section E 68(7) (2012) m964
Space group: P 1 n 1
Cell volume: 1000.7
Cell parameters: 10.998; 7.4536; 12.271; 90; 95.86; 90;

COD ID: 2235800

Formula: - C14 H21 N3 O6 -
Comments: Loos, Stefan; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian 2-Aminoterephthalic acid N,N-dimethylformamide disolvate Acta Crystallographica Section E 68(8) (2012) o2501
Space group: P 1 n 1
Cell volume: 811.72
Cell parameters: 7.8393; 9.7462; 10.9147; 90; 103.251; 90;

COD ID: 2236858

Formula: - C15 H18 N O3 P -
Comments: Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Babiak, Michal Diphenyl (isopropylamido)phosphate Acta Crystallographica Section E 68(12) (2012) o3459
Space group: P 1 n 1
Cell volume: 731.78
Cell parameters: 8.4432; 5.303; 16.3443; 90; 90.453; 90;

COD ID: 2238632
CIF file Original IUCr paper	Formula: - C26 H35 Cl2 N O8 - Comments: Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Byrappa, K. Desvenlafaxinium chloranilate ethyl acetate solvate Acta Crystallographica Section E 69(10) (2013) o1556-o1557 Space group: P 1 n 1 Cell volume: 1379.32 Cell parameters: 11.1738; 9.39846; 13.6046; 90; 105.109; 90;

COD ID: 2238741
CIF file Original IUCr paper	Formula: - C14 H18 N4 - Comments: Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet <i>N</i>-(1<i>H</i>-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine Acta Crystallographica Section E 69(11) (2013) o1706 Space group: P 1 n 1 Cell volume: 646.29 Cell parameters: 7.563; 6.5593; 13.2319; 90; 100.072; 90;

COD ID: 2239008

Formula: - C24 H17 Br N2 O5 S -
Comments: Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V. (E)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1H-indol-3-yl]ethanone Acta Crystallographica Section E 70(2) (2014) o149
Space group: P 1 n 1
Cell volume: 1110.08
Cell parameters: 10.1823; 8.0932; 13.8111; 90; 102.749; 90;

COD ID: 2239365

Formula: - C26 H28 N2 -
Comments: Shivaprakash, S.; Chandrasekara Reddy, G.; Jasinski, Jerry P. (Z)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine Acta Crystallographica Section E 70(5) (2014) o576
Space group: P 1 n 1
Cell volume: 1049.98
Cell parameters: 8.7823; 9.6068; 12.4894; 90; 94.834; 90;

COD ID: 2239503

Formula: - C21 H22 O3 S -
Comments: Choi, Hong Dae; Seo, Pil Ja; Lee, Uk 5-Cyclopentyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran Acta Crystallographica Section E 70(5) (2014) o592
Space group: P 1 n 1
Cell volume: 916.54
Cell parameters: 10.5452; 6.3093; 13.7813; 90; 91.626; 90;

COD ID: 2239692

Formula: - C11 H9 Br2 N3 O -
Comments: Bunev, Alexander S.; Troshina, Marina A.; Ostapenko, Gennady I.; Pavlova, Andzhela P.; Khrustalev, Victor N. 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone Acta Crystallographica Section E 70(7) (2014) o818
Space group: P 1 n 1
Cell volume: 1188.3
Cell parameters: 3.9699; 19.437; 15.402; 90; 90.908; 90;

COD ID: 2241584

Formula: - C7 H20 Cl3 Cr N4 O4 -
Comments: Moon, Dohyun; Choi, Jong-Ha Crystal structure of trans-dichlorido(1,4,8,11-tetraazaundecane-κ^4^N)chromium(III) perchlorate determined from synchrotron data Acta Crystallographica Section E 72(3) (2016) 424-427
Space group: P 1 n 1
Cell volume: 751.6
Cell parameters: 6.473; 11.449; 10.385; 90; 102.42; 90;

COD ID: 2241672

Formula: - C28 H32 N4 O14 Zn2 -
Comments: Ordonez, Carlos; Fonari, Marina S.; Wei, Qiang; Timofeeva, Tatiana V. Crystal structure of poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate] Acta Crystallographica Section E 72(5) (2016) 764-767
Space group: P 1 n 1
Cell volume: 1583.3
Cell parameters: 9.47; 12.351; 13.575; 90; 94.327; 90;

COD ID: 2241691

Formula: - C47 H34 Br4 Cl8 N4 O8 -
Comments: Scheidt, W. Robert; Duval, Hugues F.; Oliver, Allen G. Ring-strain release in neutral and dicationic 7,8,17,18-tetrabromo-5,10,15,20-tetraphenylporphyrin: crystal structures of C~44~H~26~Br~4~N~4~ and C~44~H~28~Br~4~N~4~^2+^·2ClO~4~^{-^}·3CH~2~Cl~2~ Acta Crystallographica Section E 72(6) (2016) 824-828
Space group: P 1 n 1
Cell volume: 2623.5
Cell parameters: 12.903; 13.761; 14.876; 90; 96.67; 90;

COD ID: 2242629

Formula: - C10 H20 N4 O10 P2 Zn -
Comments: Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A. Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks Acta Crystallographica Section E 74(10) (2018) 1411-1416
Space group: P 1 n 1
Cell volume: 1834.58
Cell parameters: 10.5172; 7.421; 23.5592; 90; 93.861; 90;

COD ID: 2243396

Formula: - C64 H72.44 Cl3 Mn5 N9 Na O27.72 -
Comments: Zaleski, Curtis M.; Zeller, Matthias Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O Acta Crystallographica Section E 76(6) (2020) 848-856
Space group: P 1 n 1
Cell volume: 3842.1
Cell parameters: 14.1955; 16.3349; 16.6144; 90; 94.235; 90;

COD ID: 2243452

Formula: - Cu4 H8 O11 S -
Comments: Mills, Stuart; Aishima, Jun; Aragao, David; Caradoc-Davies, Tom Tudor; Cowieson, Nathan; Gee, Christine L.; Ericsson, Daniel; Harrop, Stephen; Panjikar, Santosh; Smith, Kate Mary Louise; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Price, Jason Roy Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator Acta Crystallographica Section E 76(7) (2020) 1136-1138
Space group: P 1 n 1
Cell volume: 463.51
Cell parameters: 7.84; 6.34; 9.768; 90; 107.32; 90;

COD ID: 2243479

Formula: - C68 H72 Dy Mn4 N8 Na O32 -
Comments: Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M. Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate Acta Crystallographica Section E 76(8) (2020) 1213-1221
Space group: P 1 n 1
Cell volume: 3989.9
Cell parameters: 14.3622; 16.5258; 16.8246; 90; 92.347; 90;

COD ID: 2243744

Formula: - C4 H8 O4 S2 -
Comments: Harlow, Richard L.; Oliver, Allen G.; Sammes, Michael P. C—H···O contacts in the crystal structure of 1,3-dithiane 1,1,3,3-tetraoxide Acta Crystallographica Section E 77(2) (2021) 204-207
Space group: P 1 n 1
Cell volume: 347.71
Cell parameters: 4.9472; 9.9021; 7.1002; 90; 91.464; 90;

COD ID: 2244176

Formula: - C15 H14 N2 O3 -
Comments: Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean Syntheses and crystal structures of benzyl N'-[(E)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl N'-[(E)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate Acta Crystallographica Section E 78(10) (2022)
Space group: P 1 n 1
Cell volume: 664.2
Cell parameters: 4.5017; 14.047; 10.567; 90; 96.3; 90;

COD ID: 2311764

Formula: - C20 H24 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1902
Cell parameters: 6.0925; 26.145; 12.1017; 90; 99.3633; 90;

COD ID: 2311765

Formula: - C20 H24 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1939.4
Cell parameters: 6.1262; 26.531; 12.0982; 90; 99.5055; 90;

COD ID: 2311766

Formula: - C20 H24 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1948.3
Cell parameters: 6.1343; 26.629; 12.0933; 90; 99.514; 90;

COD ID: 2311767

Formula: - C20 H24 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1953.9
Cell parameters: 6.1398; 26.721; 12.0772; 90; 99.554; 90;

COD ID: 2311768

Formula: - C20 H24 N4 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1957.5
Cell parameters: 6.1457; 26.765; 12.0716; 90; 99.654; 90;

COD ID: 3500140
CIF file	Formula: - H4 O7 S Ti - Comments: Armel Le Bail Personal communication to COD (2025) Space group: P 1 n 1 Cell volume: 1725.88 Cell parameters: 5.54286; 16.68093; 18.66742; 90; 90.6389; 90;

COD ID: 4000593
CIF file	Formula: - Co2 H4 Mo10 N4 O38 - Comments: Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation Chemistry of Materials (2005) Space group: P 1 n 1 Cell volume: 2108.4 Cell parameters: 12.5807; 12.7201; 13.913; 90; 108.744; 90;

COD ID: 4001356

Formula: - C30 H72 Cu6 P2 S6 -
Comments: Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J. Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State Chemistry of Materials 19(11) (2007) 2768
Space group: P 1 n 1
Cell volume: 2347
Cell parameters: 10.7396; 10.7984; 20.278; 90; 93.61; 90;

COD ID: 4001515
CIF file	Formula: - C11 H17 N3 O4 - Comments: Prakash, M. Jaya; Radhakrishnan, T. P. Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions Chemistry of Materials 18(13) (2006) 2943 Space group: P 1 n 1 Cell volume: 1305.5 Cell parameters: 10.3601; 12.1853; 10.5378; 90; 101.082; 90;

COD ID: 4001542

Formula: - C24 H56 Cu4 O8 P4 Se8 -
Comments: Hsu, Yung-Jung; Hung, Chiu-Ming; Lin, Yi-Feng; Liaw, Ben-Jie; Lobana, Tarlok S.; Lu, Shih-Yuan; Liu, C. W. [Cu4{Se2P(OiPr)2}4]: A Novel Precursor Enabling Preparation of Nonstoichiometric Copper Selenide (Cu2-xSe) Nanowires Chemistry of Materials 18(14) (2006) 3323
Space group: P 1 n 1
Cell volume: 2480.5
Cell parameters: 11.692; 18.023; 11.772; 90; 90.71; 90;

COD ID: 4003383
CIF file	Formula: - F H6 N Na O4 P - Comments: Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials Chemistry of Materials 30(21) (2018) 7823 Space group: P 1 n 1 Cell volume: 269.88 Cell parameters: 4.9431; 9.02; 6.0536; 90; 90.797; 90;

COD ID: 4003920

Formula: - K2 S16 Sb10 -
Comments: Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation Chemistry of Materials 33(10) (2021) 3729-3735
Space group: P 1 n 1
Cell volume: 1432.65
Cell parameters: 8.1305; 19.48; 9.0508; 90; 91.955; 90;

COD ID: 4003922

Formula: - Rb2 S16 Sb10 -
Comments: Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation Chemistry of Materials 33(10) (2021) 3729-3735
Space group: P 1 n 1
Cell volume: 1451.6
Cell parameters: 8.177; 19.5619; 9.0795; 90; 91.822; 90;

COD ID: 4004059

Formula: - C20 H32 Cl5 N2 Sb -
Comments: Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield Chemistry of Materials 34(2) (2022) 537-546
Space group: P 1 n 1
Cell volume: 3001.86
Cell parameters: 18.4709; 9.53635; 18.6873; 90; 114.223; 90;

COD ID: 4020314
CIF file	Formula: - C24 H22 N2 O6 - Comments: Sergiu Coseri; G. David Mendenhall; K. U. Ingold Journal of Organic Chemistry 70 (2005) 4629-4636 Space group: P 1 n 1 Cell volume: 1016.04 Cell parameters: 10.7023; 5.7153; 17.0466; 90; 102.982; 90;

COD ID: 4020458
CIF file	Formula: - C44 H52 O8 - Comments: Carmen Mateo; Concepción Pérez-Melero; Rafael Peláez; Manuel Medarde Journal of Organic Chemistry 70 (2005) 6544-6547 Space group: P 1 n 1 Cell volume: 1897.7 Cell parameters: 11.466; 13.3; 12.444; 90; 90.18; 90;

COD ID: 4021672
CIF file	Formula: - C34 H34 N2 - Comments: Masahiro Horiguchi; Yoshikatsu Ito Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt Journal of Organic Chemistry 71 (2006) 3608-3611 Space group: P 1 n 1 Cell volume: 1295.7 Cell parameters: 9.7776; 13.6558; 9.8864; 90; 101.014; 90;

COD ID: 4022059

Formula: - C8 H4 N2 -
Comments: Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-CτbC-CτbC-H) Journal of Organic Chemistry 71 (2006) 8541-8544
Space group: P 1 n 1
Cell volume: 647.5
Cell parameters: 3.8182; 17.949; 9.4768; 90; 94.48; 90;

COD ID: 4022405
CIF file	Formula: - C18 H18 F3 N O4 - Comments: Xiao-Long Qiu; Feng-Ling Qing Synthesis of cis-4-Trifluoromethyl- and cis-4-Difluoromethyl–pyroglutamic Acids Journal of Organic Chemistry 68 (2003) 3614-3617 Space group: P 1 n 1 Cell volume: 1811.8 Cell parameters: 14.5472; 6.0792; 20.508; 90; 92.548; 90;

COD ID: 4023068

Formula: - C25 H30 N2 O5 -
Comments: Hai-Long Wei; Ze-Yi Yan; Yan-Ning Niu; Gao-Qiang Li; Yong-Min Liang New Light on an Old Story: Facile and Efficient Synthesis of 1,3-Diaryl-5-spirohexahydro- pyrimidines via a Six-Molecule, Three-Component Mannich-Type Reaction Journal of Organic Chemistry 72 (2007) 8600-8603
Space group: P 1 n 1
Cell volume: 1104.44
Cell parameters: 9.0254; 10.636; 11.5572; 90; 95.432; 90;

COD ID: 4025185
CIF file	Formula: - C23 H22 O5 - Comments: Haruyasu Asahara; Kohta Saito; Naohiko Ikuma; Takumi Oshima Kinetic Evidence for Dihapto (η2) π-Aryl Participation in Acid-Catalyzed Ring Opening of Diarylhomobenzoquinone Epoxides Journal of Organic Chemistry 75 (2010) 733-740 Space group: P 1 n 1 Cell volume: 967.35 Cell parameters: 8.9422; 10.7454; 10.7371; 90; 110.343; 90;

COD ID: 4025436
CIF file	Formula: - C146 H194 Cl6 O14 - Comments: Norbert Itzhak; Silvio E. Biali Selective Functionalization of a Single Methylene Bridge of a Calix[6]arene Journal of Organic Chemistry 75 (2010) 3437-3442 Space group: P 1 n 1 Cell volume: 6938.2 Cell parameters: 20.2466; 14.2736; 24.141; 90; 96.01; 90;

COD ID: 4026078

Formula: - C24 H22 O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 n 1
Cell volume: 878.05
Cell parameters: 6.4585; 9.7432; 14.0722; 90; 97.442; 90;

COD ID: 4026094
CIF file	Formula: - C22 H26 O6 - Comments: Kai Ding; Yun-shan Sun; Wei-Sheng Tian Total Synthesis of (±)-Spiniferin-1 via a Polyfluoroalkanosulfonyl Fluoride Induced Homoallylic Carbocation Rearrangement Reaction Journal of Organic Chemistry 76 (2011) 1495-1498 Space group: P 1 n 1 Cell volume: 991.26 Cell parameters: 10.5615; 8.3727; 11.8537; 90; 108.972; 90;

COD ID: 4028199

Formula: - C20 H21 N O4 -
Comments: Mukulesh Mondal; Han-Jen Ho; Nicholas J. Peraino; Melanie A. Gary; Kraig A. Wheeler; Nessan J. Kerrigan Diastereoselective Reaction of Sulfoxonium Ylides, Aldehydes and Ketenes: An Approach to trans-γ-Lactones Journal of Organic Chemistry 78 (2013) 4587-4593
Space group: P 1 n 1
Cell volume: 3403.04
Cell parameters: 16.5731; 6.5305; 31.5251; 90; 94.15; 90;

COD ID: 4029002

Formula: - C18 H18 I N3 O2 -
Comments: Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes. The Journal of organic chemistry 79(4) (2014) 1842-1849
Space group: P 1 n 1
Cell volume: 910.91
Cell parameters: 9.1444; 10.7731; 10.2668; 90; 115.759; 90;

COD ID: 4029197

Formula: - C19 H21 N O3 S -
Comments: Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T. Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides. The Journal of organic chemistry 79(6) (2014) 2601-2610
Space group: P 1 n 1
Cell volume: 3437
Cell parameters: 9.7237; 18.257; 19.364; 90; 91.061; 90;

COD ID: 4029408

Formula: - C34.5 H37 N O1.5 -
Comments: Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways. The Journal of organic chemistry 79(10) (2014) 4528-4543
Space group: P 1 n 1
Cell volume: 2807.02
Cell parameters: 10.9755; 11.2553; 22.7841; 90; 94.201; 90;

COD ID: 4029514

Formula: - C120 H138 N14 O24 -
Comments: Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold. The Journal of organic chemistry 79(12) (2014) 5545-5557
Space group: P 1 n 1
Cell volume: 11194.1
Cell parameters: 22.564; 21.265; 23.331; 90; 90.599; 90;

COD ID: 4029726

Formula: - C23 H23 N3 O4 -
Comments: Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J. Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles. Beilstein journal of organic chemistry 8 (2012) 567-578
Space group: P 1 n 1
Cell volume: 979.4
Cell parameters: 6.4732; 10.4674; 14.5108; 90; 95.05; 90;

COD ID: 4030098

Formula: - C16 H23 O2.5 Se -
Comments: Orlov, Nikolay V.; Chistyakov, Igor V.; Khemchyan, Levon L.; Ananikov, Valentine P.; Beletskaya, Irina P.; Starikova, Zoya A. Exclusive selectivity in the one-pot formation of C-C and C-se bonds involving ni-catalyzed alkyne hydroselenation: optimization of the synthetic procedure and a mechanistic study. The Journal of organic chemistry 79(24) (2014) 12111-12121
Space group: P 1 n 1
Cell volume: 3266.2
Cell parameters: 12.0854; 11.5177; 24.1477; 90; 103.661; 90;

COD ID: 4030145

Formula: - C31 H20 F3 N3 O -
Comments: Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration. The Journal of organic chemistry 79(22) (2014) 11039-11050
Space group: P 1 n 1
Cell volume: 2554.8
Cell parameters: 10.8941; 19.949; 11.7899; 90; 94.385; 90;

COD ID: 4030305

Formula: - C27 H30 N2 O7 S -
Comments: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. The Journal of organic chemistry 80(1) (2014) 528
Space group: P 1 n 1
Cell volume: 1266.67
Cell parameters: 9.5308; 9.7901; 13.8253; 90; 100.914; 90;

COD ID: 4030655

Formula: - C17 H14 N4 O4 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 n 1
Cell volume: 769.28
Cell parameters: 7.5869; 14.3161; 7.9651; 90; 117.226; 90;

COD ID: 4031844

Formula: - C23 H12 F3 N O2 S2 -
Comments: Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence. The Journal of organic chemistry 81(2) (2016) 433-441
Space group: P 1 n 1
Cell volume: 1901.43
Cell parameters: 5.7685; 7.7643; 42.4758; 90; 91.849; 90;

COD ID: 4032107

Formula: - C16 H16 O2 -
Comments: D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M. Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes. The Journal of organic chemistry 82(1) (2017) 471-480
Space group: P 1 n 1
Cell volume: 624.85
Cell parameters: 6.4258; 9.9859; 10.2112; 90; 107.515; 90;

COD ID: 4032323
CIF file	Formula: - C14 H12 N4 O - Comments: Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav Alternative Route Toward Nitrones: Experimental and Theoretical Findings. The Journal of organic chemistry 82(3) (2017) 1666-1675 Space group: P 1 n 1 Cell volume: 2435.4 Cell parameters: 5.8539; 27.248; 15.506; 90; 100.049; 90;

COD ID: 4032850
CIF file	Formula: - C15 H16 O4 S - Comments: Wang, Yajun; Jiang, Wei; Huo, Congde One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide. The Journal of organic chemistry 82(19) (2017) 10628-10634 Space group: P 1 n 1 Cell volume: 715.08 Cell parameters: 9.4351; 5.8009; 13.4209; 90; 103.224; 90;

COD ID: 4032857

Formula: - C14 H19 N O -
Comments: Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E. Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations. The Journal of organic chemistry 82(19) (2017) 10297-10309
Space group: P 1 n 1
Cell volume: 603.71
Cell parameters: 5.13742; 9.0247; 13.0607; 90; 94.461; 90;

COD ID: 4033230

Formula: - C19 H20 O7 -
Comments: Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin. The Journal of organic chemistry 82(24) (2017) 13263-13267
Space group: P 1 n 1
Cell volume: 794.69
Cell parameters: 7.2447; 13.8888; 8.0725; 90; 101.937; 90;

COD ID: 4033325
CIF file	Formula: - C46 H58 F6 N2 O17 - Comments: Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W. Pseudocryptand Hosts for Paraquats and Diquats. The Journal of organic chemistry 83(2) (2018) 823-834 Space group: P 1 n 1 Cell volume: 2359.1 Cell parameters: 11.2302; 9.7297; 21.768; 90; 97.322; 90;

COD ID: 4036949

Formula: - C16 H15 N O3 -
Comments: Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J. Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene. The Journal of organic chemistry 81(17) (2016) 7952-7957
Space group: P 1 n 1
Cell volume: 695.43
Cell parameters: 5.8149; 7.7454; 15.5132; 90; 95.543; 90;

COD ID: 4037029
CIF file	Formula: - C9 H11 N O2 S - Comments: Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z. Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one. The Journal of organic chemistry 81(21) (2016) 10527-10531 Space group: P 1 n 1 Cell volume: 472.5 Cell parameters: 5.641; 8.206; 10.243; 90; 94.7605; 90;

COD ID: 4037645

Formula: - C23 H19.5 Br Cl N O4 -
Comments: Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-Oxo-Migration/Cyclization of β-Alkynyl Ketones. The Journal of organic chemistry (2019)
Space group: P 1 n 1
Cell volume: 2203
Cell parameters: 8.7013; 6.5826; 38.629; 90; 95.329; 90;

COD ID: 4038139
CIF file	Formula: - C29 H27 N3 - Comments: Chang, Meng-Yang; Tsai, Yu-Lin One-Pot Amberlyst 15-Controlled Cyclocondensation of Piperidines and Arylaldehydes. Synthesis of 3,5-Diarylmethyl Pyridines. The Journal of organic chemistry (2020) Space group: P 1 n 1 Cell volume: 2254.4 Cell parameters: 6.2091; 11.431; 31.863; 90; 94.557; 90;

COD ID: 4038367

Formula: - C11 H8 F7 N2 O3 P S -
Comments: Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J. Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts. The Journal of organic chemistry (2020)
Space group: P 1 n 1
Cell volume: 713.521
Cell parameters: 8.73091; 7.86576; 11.09899; 90; 110.593; 90;

COD ID: 4038371

Formula: - C11 H8 Cl4 F3 N2 O3 P S -
Comments: Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J. Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts. The Journal of organic chemistry (2020)
Space group: P 1 n 1
Cell volume: 820.629
Cell parameters: 9.33396; 8.28139; 11.25557; 90; 109.401; 90;

COD ID: 4038470
CIF file	Formula: - C23 H20 N2 O2 S - Comments: Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines. The Journal of organic chemistry (2020) Space group: P 1 n 1 Cell volume: 976.7 Cell parameters: 9.1129; 11.1539; 10.0597; 90; 107.223; 90;

COD ID: 4038840
CIF file	Formula: - C16 H20 N2 - Comments: Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates. The Journal of organic chemistry (2020) Space group: P 1 n 1 Cell volume: 690.5 Cell parameters: 6.381; 13.803; 7.88; 90; 95.82; 90;

COD ID: 4060131
CIF file	Formula: - C80 H78 N4 P2 Zr - Comments: Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins Organometallics (2005) Space group: P 1 n 1 Cell volume: 3277.7 Cell parameters: 17.3463; 10.4371; 18.6531; 90; 103.929; 90;

COD ID: 4060155
CIF file	Formula: - C32 H52 O2 Si2 Zr - Comments: Organometallics (2005) Space group: P 1 n 1 Cell volume: 1693.68 Cell parameters: 12.2632; 10.4353; 13.2677; 90; 94.028; 90;

COD ID: 4060642
CIF file	Formula: - C18 H11 O10 Os3 Sb - Comments: Organometallics (2006) Space group: P 1 n 1 Cell volume: 2414.14 Cell parameters: 9.2722; 15.0937; 17.2511; 90; 90.701; 90;

COD ID: 4060743
CIF file	Formula: - C65 H75 In Li2 O10 Si4 - Comments: Mrinialini G. Walawalkar A Rare Lithium Indium Siloxane: Synthesis and Crystal Structure of [InMe{(OPh~2~Si)~2~O}~2~-μ-{Li(THF)~2~}~2~] Organometallics 22 (2003) 879-881 Space group: P 1 n 1 Cell volume: 3631.9 Cell parameters: 10.74; 16.23; 21.295; 90; 101.92; 90;

COD ID: 4061582
CIF file	Formula: - C26 H55 Li O11 Si3 Sn W - Comments: Organometallics (2005) Space group: P 1 n 1 Cell volume: 1997 Cell parameters: 13.136; 11.189; 13.592; 90; 91.61; 90;

COD ID: 4061583
CIF file	Formula: - C26 H55 Li Mo O11 Si3 Sn - Comments: Organometallics (2005) Space group: P 1 n 1 Cell volume: 2020.1 Cell parameters: 13.171; 11.244; 13.646; 90; 91.64; 90;

COD ID: 4061761
CIF file	Formula: - C60 H90 Fe N4 O - Comments: Organometallics (2005) Space group: P 1 n 1 Cell volume: 2725.2 Cell parameters: 13.241; 12.013; 17.175; 90; 94.036; 90;

COD ID: 4061954
CIF file	Formula: - C31 H33 Cl8 O2 P Pt - Comments: Organometallics (2003) Space group: P 1 n 1 Cell volume: 1741.9 Cell parameters: 12.15; 8.8305; 16.9544; 90; 106.744; 90;

COD ID: 4061962
CIF file	Formula: - C12 H21 B10 N Sn - Comments: Organometallics (2003) Space group: P 1 n 1 Cell volume: 938.7 Cell parameters: 7.1608; 9.5139; 13.892; 90; 97.32; 90;

COD ID: 4062189
CIF file	Formula: - C27 H61 Al Ga N2 Sb Si2 - Comments: Thomas, Florian; Schulz, Stephan; Nieger, Martin Unexpected Rearangement reaction of Lewis-Base Stabilized Group 13/15 Compounds with Group 13 Trialkyls Organometallics (2003) Space group: P 1 n 1 Cell volume: 1831.48 Cell parameters: 11.134; 14.2679; 11.5519; 90; 93.612; 90;

COD ID: 4062333
CIF file	Formula: - C55 H125 Li O4 Si7 - Comments: Ichinohe, Masaaki; Kinjo, Rei; Sekiguchi, Akira The First Stable Methyl-Substituted Disilene: Synthesis, Crystal Structure, and Regiospecific MeLi Addition Organometallics 22(23) (2003) 4621-4623 Space group: P 1 n 1 Cell volume: 3339.2 Cell parameters: 11.516; 13.485; 21.632; 90; 96.276; 90;

COD ID: 4063407
CIF file	Formula: - C65 H49 Ge3 Ir O11 Ru3 - Comments: Adams, Richard D.; Kan, Yuwei; Zhang, Qiang Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes Organometallics 30(2) (2011) 328-333 Space group: P 1 n 1 Cell volume: 3112.9 Cell parameters: 9.1558; 20.1898; 17.0198; 90; 98.344; 90;

COD ID: 4063412
CIF file	Formula: - C68 H92 Au4 F24 N16 P4 - Comments: Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions Organometallics 30(2) (2011) 334-347 Space group: P 1 n 1 Cell volume: 9370.5 Cell parameters: 13.5089; 35.94; 19.3128; 90; 92.056; 90;

COD ID: 4064058

Formula: - C13 H15 N O3 -
Comments: Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles Organometallics 30(5) (2011) 1079
Space group: P 1 n 1
Cell volume: 596.45
Cell parameters: 7.858; 9.7895; 8.153; 90; 108.008; 90;

COD ID: 4064199

Formula: - C28 H35 Cl Ir O4 P -
Comments: Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P. Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines Organometallics 30(6) (2011) 1668
Space group: P 1 n 1
Cell volume: 2795.4
Cell parameters: 8.631; 20.819; 15.561; 90; 91.35; 90;

COD ID: 4066355

Formula: - C20 H41 Cl N P2 Rh -
Comments: Urtel, Heiko; Meier, Claudia; Rominger, Frank; Hofmann, Peter Neutralcis-Alkyl Olefin Rhodium(I) Complexes: Models of Intermediates in Late Transition Metal Olefin Polymerization with Surprising Structure† Organometallics 29(21) (2010) 5496
Space group: P 1 n 1
Cell volume: 2348.4
Cell parameters: 10.9515; 14.1024; 15.331; 90; 97.331; 90;

COD ID: 4066546
CIF file	Formula: - C75 H68 B4 Cl2 Lu2 N4 - Comments: Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei Synthesis and Structural Features of Boratabenzene Rare-Earth Metal Alkyl Complexes Organometallics 29(17) (2010) 3722 Space group: P 1 n 1 Cell volume: 3316.2 Cell parameters: 11.7871; 11.8143; 24.2512; 90; 100.896; 90;

COD ID: 4066556

Formula: - C40 H72 N3 O2 Si2 Sm -
Comments: Dyer, Hellen E.; Huijser, Saskia; Susperregui, Nicolas; Bonnet, Fanny; Schwarz, Andrew D.; Duchateau, Robbert; Maron, Laurent; Mountford, Philip Ring-Opening Polymerization ofrac-Lactide by Bis(phenolate)amine-Supported Samarium Borohydride Complexes: An Experimental and DFT Study Organometallics 29(16) (2010) 3602
Space group: P 1 n 1
Cell volume: 2222.05
Cell parameters: 9.1117; 11.1189; 22.3721; 90; 101.374; 90;

COD ID: 4066896
CIF file	Formula: - C11 H15 Co - Comments: Hapke, Marko; Weding, Nico; Spannenberg, Anke Highly Reactive Cyclopentadienylcobalt(I) Olefin Complexes Organometallics 29(19) (2010) 4298 Space group: P 1 n 1 Cell volume: 469.2 Cell parameters: 5.6233; 12.5738; 6.7557; 90; 100.803; 90;

COD ID: 4067093

Formula: - C90 H120 Cu4 N8 Ti6 -
Comments: Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E. G.; Pérez-Redondo, Adrián; Yélamos, Carlos Cyclopentadienyl and Alkynyl Copper(I) Derivatives with the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand Organometallics 29(24) (2010) 6732
Space group: P 1 n 1
Cell volume: 4525
Cell parameters: 11.3197; 17.216; 23.233; 90; 91.95; 90;

COD ID: 4067153

Formula: - C36 H36 Cl2 F6 O7 P Ru2 S4 -
Comments: Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki Preparation of Thiolate-Bridged Dinuclear Ruthenium Complexes Bearing a Phosphine Ligand and Application to Propargylic Reduction of Propargylic Alcohols with 2-Propanol Organometallics 29(22) (2010) 5994
Space group: P 1 n 1
Cell volume: 2124.2
Cell parameters: 11.6815; 12.2521; 15.3294; 90; 104.493; 90;

COD ID: 4067345

Formula: - C54.5 H68 Cr N6 O6 Si2 Zr -
Comments: Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H. Bridging N-Aminoisocyanate Ligands in Heterobimetallic Complexes: Coupling of Zirconium Hydrazinediides and Transition-Metal Carbonyls Organometallics 29(1) (2010) 28
Space group: P 1 n 1
Cell volume: 5657
Cell parameters: 11.239; 22.213; 22.686; 90; 92.841; 90;

COD ID: 4067681
CIF file	Formula: - C23 H34 Al N3 O5 S2 - Comments: Schwarz, Andrew D.; Chu, Zengyong; Mountford, Philip Sulfonamide-Supported Aluminum Catalysts for the Ring-Opening Polymerization ofrac-Lactide Organometallics 29(5) (2010) 1246 Space group: P 1 n 1 Cell volume: 1284.51 Cell parameters: 7.8591; 12.9952; 12.7598; 90; 99.7066; 90;

COD ID: 4067768

Formula: - C55 H90 O4 Si4 -
Comments: Kawakami, Yoshiteru; Sakuma, Yoshinobu; Wakuda, Takashi; Nakai, Tatsuya; Shirasaka, Masayoshi; Kabe, Yoshio Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks Organometallics 29(15) (2010) 3281
Space group: P 1 n 1
Cell volume: 2920.9
Cell parameters: 12.591; 13.083; 17.732; 90; 90.47; 90;

COD ID: 4067769

Formula: - C55 H92 O4 Si5 -
Comments: Kawakami, Yoshiteru; Sakuma, Yoshinobu; Wakuda, Takashi; Nakai, Tatsuya; Shirasaka, Masayoshi; Kabe, Yoshio Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks Organometallics 29(15) (2010) 3281
Space group: P 1 n 1
Cell volume: 2926.2
Cell parameters: 12.7; 13.154; 17.541; 90; 93.05; 90;

COD ID: 4068601
CIF file	Formula: - C27 H40 Ir N P2 S - Comments: Whited, Matthew T.; Grubbs, Robert H. Elucidation of Heterocumulene Activation by a Nucleophilic-at-Metal Iridium(I) Carbene Organometallics 28(1) (2009) 161 Space group: P 1 n 1 Cell volume: 2831.9 Cell parameters: 13.8273; 13.4512; 16.6229; 90; 113.66; 90;

COD ID: 4069364
CIF file	Formula: - C66 H58 Cl8 N6 O14 P2 Pt2 - Comments: Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes Organometallics 28(12) (2009) 3501 Space group: P 1 n 1 Cell volume: 3540.4 Cell parameters: 10.3837; 14.7111; 23.2619; 90; 94.9; 90;

COD ID: 4069681

Formula: - C86 H84 F12 Fe2 P6 -
Comments: Tanaka, Yuya; Shaw-Taberlet, Jennifer A.; Justaud, Frédéric; Cador, Olivier; Roisnel, Thierry; Akita, Munetaka; Hamon, Jean-René; Lapinte, Claude Electronic and Magnetic Couplings in Free and π-Coordinated 1,4-Diethynylnaphthalene-Bridged [Cp*(dppe)Fe]n+(n= 0, 1) Units Organometallics 28(16) (2009) 4656
Space group: P 1 n 1
Cell volume: 4369.4
Cell parameters: 12.3994; 21.8906; 16.1491; 90; 94.569; 90;

COD ID: 4069797
CIF file	Formula: - C47 H40.5 Ag2 F12 N9.5 P2 - Comments: Liu, Ailing; Zhang, Xiaoming; Chen, Wanzhi New Pincer CC′C Complexes of Nickel(II) via Chloronickelation of Alkyne-Bearing N-Heterocyclic Carbenes Organometallics 28(16) (2009) 4868 Space group: P 1 n 1 Cell volume: 5067.9 Cell parameters: 14.6118; 22.666; 15.5491; 90; 100.227; 90;

COD ID: 4070128

Formula: - C37 H57 Bi N2 O Si2 Zr -
Comments: Nekoueishahraki, Bijan; Jana, Anukul; Roesky, Herbert W.; Mishra, Lallan; Stern, Daniel; Stalke, Dietmar Synthesis and Structural Characterization of Heterobimetallic Bismuth Complexes with Main Group and Transition Metals Organometallics 28(19) (2009) 5733
Space group: P 1 n 1
Cell volume: 1925.9
Cell parameters: 12.364; 10.377; 15.826; 90; 108.472; 90;

COD ID: 4070129

Formula: - C36 H54 Bi Cl Hf N2 O Si2 -
Comments: Nekoueishahraki, Bijan; Jana, Anukul; Roesky, Herbert W.; Mishra, Lallan; Stern, Daniel; Stalke, Dietmar Synthesis and Structural Characterization of Heterobimetallic Bismuth Complexes with Main Group and Transition Metals Organometallics 28(19) (2009) 5733
Space group: P 1 n 1
Cell volume: 1909.3
Cell parameters: 12.3404; 10.334; 15.7596; 90; 108.189; 90;

COD ID: 4070677
CIF file	Formula: - C13 H14 Co - Comments: Mayer, Ulrich F. J.; Charmant, Jonathan P. H.; Rae, James; Manners, Ian Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6] Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3) Organometallics 27(7) (2008) 1524 Space group: P 1 n 1 Cell volume: 485.6 Cell parameters: 6.278; 7.28; 10.834; 90; 101.286; 90;

COD ID: 4070795
CIF file	Formula: - C23 H25 N3 O6 Si - Comments: Spiniello, Marisa; White, Jonathan M. Structural Investigations into the β-Effect of Pentavalent Silicon Organometallics 27(5) (2008) 994 Space group: P 1 n 1 Cell volume: 1125.9 Cell parameters: 9.341; 10.443; 11.71; 90; 99.72; 90;

COD ID: 4072327
CIF file	Formula: - C75 H68 B4 Cl2 N4 Y2 - Comments: Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement Organometallics 27(23) (2008) 6307 Space group: P 1 n 1 Cell volume: 3336.7 Cell parameters: 11.8415; 11.8468; 24.244; 90; 101.164; 90;

COD ID: 4072436

Formula: - C37 H38 Ge O4 -
Comments: Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Gornitzka, Heinz; Ouhsaine, Fatima Versatile Reactivity of the Germene Mes2GeCR2toward Esters and Related Carbonyl Derivatives Organometallics 26(15) (2007) 3729
Space group: P 1 n 1
Cell volume: 1517.9
Cell parameters: 11.3333; 9.0086; 15.1704; 90; 101.477; 90;

COD ID: 4072854

Formula: - C28 H43 B2 K N2 O2 -
Comments: Ly, Hanh V.; Forster, Taryn D.; Corrente, Andrea M.; Eisler, Dana J.; Konu, Jari; Parvez, Masood; Roesler, Roland Alkali-Metal Sandwich Complexes of a 1,2-Diaza-3,5-diborolyl Ligand Featuring η1, η2, η3, and η4Coordination Modes Organometallics 26(7) (2007) 1750
Space group: P 1 n 1
Cell volume: 1467.9
Cell parameters: 11.852; 6.165; 20.203; 90; 96.06; 90;

COD ID: 4073787
CIF file	Formula: - C26 H24 F6 Fe O2 P2 - Comments: Chaudhury, Subhabrata; Li, Shukun; Bennett, Dennis W.; Siddiquee, Tasneem; Haworth, Daniel T.; Donaldson, William A. Preparation, Characterization, and Reactivity of (3-Methylpentadienyl)iron(1+) Cations Organometallics 26(22) (2007) 5295 Space group: P 1 n 1 Cell volume: 1303 Cell parameters: 11.782; 9.46; 12.125; 90; 105.38; 90;

COD ID: 4074142