Search results

Formula: - Ba2 Ca H6 O16 P4 -
Comments: Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y. Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure European Journal of Solid State and Inorganic Chemistry 34 (1997) 1249-1257
Space group: P 1 21/a 1
Cell volume: 682.3
Cell parameters: 12.3872; 10.2046; 5.4946; 90; 100.767; 90;

COD ID: 1001127
CIF file	Formula: - Cl Na O3 - Comments: Meyer, D; Gasperin, M Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 96 (1973) 18-20 Space group: P 1 21/a 1 Cell volume: 293.5 Cell parameters: 8.78; 5.17; 6.88; 90; 110; 90;

COD ID: 1001271

Formula: - Na1.5 O32 P4 W8 -
Comments: Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6) Acta Crystallographica C (39,1983-) 40 (1984) 573-576
Space group: P 1 21/a 1
Cell volume: 611.4
Cell parameters: 17.788; 5.277; 6.607; 90; 99.64; 90;

COD ID: 1001272

Formula: - Na1.7 O44 P4 W12 -
Comments: Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6) Acta Crystallographica C (39,1983-) 40 (1984) 573-576
Space group: P 1 21/a 1
Cell volume: 827.2
Cell parameters: 23.775; 5.291; 6.588; 90; 93.47; 90;

COD ID: 1001340
CIF file	Formula: - Co F10 H16 Np2 O8 - Comments: Cousson, A; Abazli, H; Jove, J; Gasperin, M Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~ Journal of the Less-Common Metals 109 (1985) 155-168 Space group: P 1 21/a 1 Cell volume: 684 Cell parameters: 8.803; 7.04; 11.066; 90; 94.12; 90;

COD ID: 1004149
CIF file	Formula: - Cs O11 U V3 - Comments: Duribreux, I.; Dion, C.; Abraham, F.; Saadi, M. CsUV~3~O~11~, a new uranyl vanadate with a layered structure Journal of Solid State Chemistry 146(1) (1999) 258-265 Space group: P 1 21/a 1 Cell volume: 941 Cell parameters: 11.904; 6.8321; 12.095; 90; 106.989; 90;

COD ID: 1006039
CIF file	Formula: - F4 K Mn - Comments: Morón, M. C.; Palacio, F.; Rodriguez-Carvajal, J. Neutron powder diffraction experiments on AMnF~4~ (A = K, Rb): nuclear and magnetic structures Physica B: Condensed Matter 180 (1992) 125-127 Space group: P 1 21/a 1 Cell volume: 341.6 Cell parameters: 7.7063; 7.6568; 5.7889; 90; 90.434; 90;

COD ID: 1007071
CIF file	Formula: - H6 O10 S Te Tl2 - Comments: Zilber, R; Durif, A; Averbuch-Pouchot, M T Structure of Thallium Sulfate Tellurate (Te (O H)~6~) (Tl~2~ S O~4~) Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1554-1556 Space group: P 1 21/a 1 Cell volume: 1002.6 Cell parameters: 12.053; 7.205; 12.354; 90; 110.85; 90;

COD ID: 1007086
CIF file	Formula: - H8 O16 P3 Rb3 Te - Comments: Boudjada, N; Durif, A Structure d'un trimetaphosphate-tellurate de rubidium monohydrate: Te (O H)~6~ Rb~3~ P~3~ H~2~ O Acta Crystallographica B (24,1968-38,1982) 38 (1982) 595-597 Space group: P 1 21/a 1 Cell volume: 1639.1 Cell parameters: 15.56; 8.358; 13.72; 90; 113.27; 90;

COD ID: 1007138
CIF file	Formula: - H9 O14 P2 Rb3 Te - Comments: Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure cristalline d'un phospho-tellurate de rubidium: Te (O H)~6~ Rb~2~ (H P O~4~) Rb (H~2~ P O~4~) Materials Research Bulletin 14 (1979) 1219-1223 Space group: P 1 21/a 1 Cell volume: 711.8 Cell parameters: 12.26; 7.059; 8.225; 90; 90.32; 90;

COD ID: 1007144
CIF file	Formula: - H2 O4 P Rb - Comments: Averbuch-Pouchot, M T; Durif, A Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H~2~ P O~4~ Acta Crystallographica C (39,1983-) 41 (1985) 665-667 Space group: P 1 21/a 1 Cell volume: 438.1 Cell parameters: 9.606; 6.236; 7.738; 90; 109.07; 90;

COD ID: 1007164
CIF file	Formula: - Cu H8 K4 O22 P6 - Comments: Durif, A; Averbuch-Pouchot, M T Structure of tetrapotassium copper cyclo-triphosphate tetrahydrate. Acta Crystallographica C (39,1983-) 43 (1987) 819-821 Space group: P 1 21/a 1 Cell volume: 1026.4 Cell parameters: 8.51; 14.303; 8.487; 90; 96.51; 90;

COD ID: 1007176
CIF file	Formula: - H8 Na4 O16 P4 - Comments: Averbuch-Pouchot, M T; Durif, A Contribution to the crystal chemistry of tetrametaphosphates (I). Journal of Solid State Chemistry 58 (1985) 119-132 Space group: P 1 21/a 1 Cell volume: 736.5 Cell parameters: 9.667; 12.358; 6.17; 90; 92.27; 90;

COD ID: 1007178

Formula: - Ca4 H16 K4 O44 P12 -
Comments: Averbuch-Pouchot, M T; Durif, A Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate Acta Crystallographica C (39,1983-) 44 (1988) 212-216
Space group: P 1 21/a 1
Cell volume: 2023.7
Cell parameters: 20.38; 12.683; 7.83; 90; 89.31; 90;

COD ID: 1007204
CIF file	Formula: - C4 H32 N12 O16 P4 - Comments: Averbuch-Pouchot, M T; Durif, A (Tris)guanidinium cyclotriphosphate and (tetra)guanidinium cyclotetraphosphate: two new examples of organic-cation cyclophosphates European Journal of Solid State Inorganic Chemistry 30 (1993) 471-482 Space group: P 1 21/a 1 Cell volume: 1235.3 Cell parameters: 9.634; 18.112; 7.292; 90; 103.86; 90;

COD ID: 1007205
CIF file	Formula: - H10 N2 O7 P2 - Comments: Averbuch-Pouchot, M T; Durif, A Crystal structure of diammonium-dihydrogeno-diphosphate: (NH~4~)~2~H~2~P~2~O~7~ European Journal of Solid State Inorganic Chemistry 29 (1992) 191-198 Space group: P 1 21/a 1 Cell volume: 747.3 Cell parameters: 9.058; 11.199; 7.764; 90; 108.4; 90;

COD ID: 1007219

Formula: - Ca4 H16 K4 O44 P12 -
Comments: Averbuch-Pouchot, M T; Durif, A Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate Acta Crystallographica C (39,1983-) 44 (1988) 212-216
Space group: P 1 21/a 1
Cell volume: 2023.7
Cell parameters: 20.38; 12.683; 7.83; 90; 89.31; 90;

COD ID: 1007236
CIF file	Formula: - Cs O4 P Zn - Comments: Blum, D; Durif, A; Averbuch-Pouchot, M T Crystal structures of the three forms of Cs Zn P O4 Ferroelectrics 69 (1986) 283-292 Space group: P 1 21/a 1 Cell volume: 924.1 Cell parameters: 18.32999; 5.45; 9.25; 90; 90.14; 90;

COD ID: 1007247
CIF file	Formula: - Ni2 O7 P2 - Comments: Masse, R; Guitel, J C; Durif, A Structure cristalline d'une nouvelle variante de pyrophosphate de nickel Ni2 P2 O7 Materials Research Bulletin 14 (1979) 337-341 Space group: P 1 21/a 1 Cell volume: 229.3 Cell parameters: 5.212; 9.913; 4.475; 90; 97.46; 90;

COD ID: 1008008
CIF file	Formula: - Hg Li2 O12 P4 - Comments: Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2953-2956 Space group: P 1 21/a 1 Cell volume: 899.6 Cell parameters: 9.525; 9.989; 9.461; 90; 92.01; 90;

COD ID: 1008183
CIF file	Formula: - Ag As2 Cu H3 O8 - Comments: Boudjada, A; Masse, R; Guitel, J C Structure Cristalline d'un Orthoarseniate Acide Mixte de Cuivre(II)- Argent: Cu Ag H~3~ (As O~4~)~2~ Acta Crystallographica B (24,1968-38,1982) 38 (1982) 710-713 Space group: P 1 21/a 1 Cell volume: 669.6 Cell parameters: 9.716; 7.704; 9.209; 90; 103.73; 90;

COD ID: 1008218
CIF file	Formula: - K Li O6 P2 - Comments: El Horr, N; Bagieu, M; Tordjman, I Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~ Acta Crystallographica C (39,1983-) 39 (1983) 1597-1599 Space group: P 1 21/a 1 Cell volume: 1106.4 Cell parameters: 15.43; 5.512; 13.72; 90; 108.53; 90;

COD ID: 1008241

Formula: - Cl2 Cr2 H8 Hg N2 O7 -
Comments: Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~) Acta Crystallographica C (39,1983-) 40 (1984) 725-728
Space group: P 1 21/a 1
Cell volume: 1083.3
Cell parameters: 14.891; 7.604; 9.62; 90; 96.02; 90;

COD ID: 1008247
CIF file	Formula: - Cu H3 O5 P - Comments: Boudjada, A Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O) Materials Research Bulletin 15 (1980) 1083-1090 Space group: P 1 21/a 1 Cell volume: 371 Cell parameters: 8.606; 6.346; 6.811; 90; 94.16; 90;

COD ID: 1008270
CIF file	Formula: - H10 K2 N2 O14 Te - Comments: Averbuch-Pouchot, M T Crystal structure of Te(O H)~6~ * 2 K N O~3~ * 2 H~2~ O: an addition compound of telluric acid Zeitschrift fuer Kristallographie (149,1979-) 167 (1984) 247-252 Space group: P 1 21/a 1 Cell volume: 652.4 Cell parameters: 13.34; 7.16; 6.939; 90; 100.14; 90;

COD ID: 1008436
CIF file	Formula: - Cs H Mo O9 P2 - Comments: Averbuch-Pouchot, M T Synthesis and Crystal Structure of Cs H Mo O~2~ (P~2~ O~7~) Journal of Solid State Chemistry 79 (1989) 296-299 Space group: P 1 21/a 1 Cell volume: 848.8 Cell parameters: 9.67; 14.231; 6.265; 90; 100.1; 90;

COD ID: 1008657
CIF file	Formula: - H36 K2 Mn4 O48 P10 - Comments: Schuelke, U; Averbuch-Pouchot, M T Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K~2~Mn~4~P~10~O~30~ . 18H~2~O Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 545-550 Space group: P 1 21/a 1 Cell volume: 2106.1 Cell parameters: 14.546; 15.211; 9.86; 90; 105.12; 90;

COD ID: 1008944
CIF file	Formula: - Ba2 Li3 O21 P7 - Comments: El Horr, N; Bagieu, M; Guitel, J C; Tordjman, I Crystal data and crystal structure of barium-lithium polyphosphate Ba2 Li3 (P O3)7 Zeitschrift fuer Kristallographie (149,1979-) 169 (1984) 73-82 Space group: P 1 21/a 1 Cell volume: 1724.5 Cell parameters: 18.01399; 8.535; 11.584; 90; 104.48; 90;

COD ID: 1010207
CIF file	Formula: - Au Br4 H4 K O2 - Comments: Cox, E. G.; Webster, K. C. The Stereochemistry of Quadricovalent Atoms: Tervalent Gold Journal of the Chemical Society 1936 (1936) 1635-1637 Space group: P 1 21/a 1 Cell volume: 479.9 Cell parameters: 9.51; 11.93; 4.23; 90; 90; 90;

COD ID: 1010467
CIF file	Formula: - Li2 O4 S - Comments: Albright, J G The Crystal Structure of Lithium Sulphate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 84 (1932) 150-158 Space group: P 1 21/a 1 Cell volume: 328 Cell parameters: 8.25; 4.95; 8.44; 90; 107.9; 90;

COD ID: 1010753
CIF file	Formula: - Fe Pb4 S14 Sb6 - Comments: Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series 44 (1940) 47-69 Space group: P 1 21/a 1 Cell volume: 1197 Cell parameters: 15.68; 19.01; 4.03; 90; 94.8; 90;

COD ID: 1011227
CIF file	Formula: - Ca3 O9 Si3 - Comments: Barnick, M Strukturuntersuchungen des natuerlichen Wollastonits Diss. Univ. Berlin 1936 (1936) 1-43 Space group: P 1 21/a 1 Cell volume: 785.5 Cell parameters: 15.33; 7.28; 7.07; 90; 95.41; 90;

COD ID: 1100672

Formula: - C18 H18 Cl N O3 S -
Comments: Sekine, Akiko; Jomoto, Kohei; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x45-x46
Space group: P 1 21/a 1
Cell volume: 1805
Cell parameters: 16.152; 10.127; 11.45; 90; 105.48; 90;

COD ID: 1100673

Formula: - C12 H12 Cl N O6 S -
Comments: Sekine, Akiko; Mitsumori, Takahiro; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x47-x48
Space group: P 1 21/a 1
Cell volume: 1426.5
Cell parameters: 12.402; 10.257; 11.295; 90; 96.856; 90;

COD ID: 1100940

Formula: - C28 H22 Cl N7 O6 Ru -
Comments: Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects Inorganic Chemistry 44 (2005) 3499-3511
Space group: P 1 21/a 1
Cell volume: 2816.5
Cell parameters: 13.702; 13.805; 15.196; 90; 101.52; 90;

COD ID: 1101072

Formula: - C4 H11 N3 O3 -
Comments: Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T. Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry Nucleosides & Nucleotides 16(12) (1997) 2193-2218
Space group: P 1 21/a 1
Cell volume: 724.038
Cell parameters: 12.159; 5.038; 12.491; 90; 108.87; 90;

COD ID: 1101076
CIF file	Formula: - Fe Pb4 S14 Sb6 - Comments: Matsushita, Yoshitaka; Ueda, Yutaka Structure and Physical Properties of 1D Magnetic Chalcogenide, Jamesonite (FePb4Sb6S14) Inorg. Chem. 42 (2003) 7830-7838 Space group: P 1 21/a 1 Cell volume: 1213.4 Cell parameters: 15.75; 19.125; 4.03; 90; 91.68; 90;

COD ID: 1200021
CIF file	Formula: - C16 H12 O7 - Comments: Fujii, Isao; Hirayama, Noriaki Structure of Capillarisin Analytical Sciences: X-ray Structure Analysis Online 19 (2003) X63-X64 Space group: P 1 21/a 1 Cell volume: 1375.2 Cell parameters: 12.4556; 11.41; 9.8681; 90; 101.318; 90;

COD ID: 1502139
CIF file	Formula: - C28 H19 P - Comments: Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction. Organic letters 13(8) (2011) 2130-2133 Space group: P 1 21/a 1 Cell volume: 1886.4 Cell parameters: 11.8709; 18.0107; 9.9332; 90; 117.349; 90;

COD ID: 1502480
CIF file	Formula: - C18 H14 N2 S - Comments: Huang, Guoli; Sun, Hongsheng; Qiu, Xiaojie; Jin, Can; Lin, Chen; Shen, Yingzhong; Jiang, Juli; Wang, Leyong Ligand-free copper-catalyzed regioselective C-2 arylation of imidazo[2,1-b]thiazoles. Organic letters 13(19) (2011) 5224-5227 Space group: P 1 21/a 1 Cell volume: 2941.1 Cell parameters: 7.4161; 13.563; 29.24; 90; 90; 90;

COD ID: 1502609
CIF file	Formula: - C15 H16 B F2 N3 O - Comments: Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand. Organic letters 13(24) (2011) 6544-6547 Space group: P 1 21/a 1 Cell volume: 1455.4 Cell parameters: 7.632; 11.523; 16.749; 90; 98.856; 90;

COD ID: 1502695

Formula: - C24 H36 O8 -
Comments: Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains. The journal of physical chemistry. B 114(24) (2010) 8181-8190
Space group: P 1 21/a 1
Cell volume: 1205.93
Cell parameters: 8.6041; 7.8833; 18.1199; 90; 101.13; 90;

COD ID: 1502719

Formula: - C107 H47 Br -
Comments: Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property The Journal of Physical Chemistry C 114(41) (2010) 17741
Space group: P 1 21/a 1
Cell volume: 6334.3
Cell parameters: 20.2439; 14.5966; 21.7947; 90; 100.403; 90;

COD ID: 1502948
CIF file	Formula: - C16 H11 N O2 - Comments: Nakamura, Itaru; Okamoto, Masashi; Terada, Masahiro Gold-catalyzed cyclization and subsequent arylidene group transfer of O-propioloyl oximes. Organic letters 12(11) (2010) 2453-2455 Space group: P 1 21/a 1 Cell volume: 1183.7 Cell parameters: 11.701; 5.714; 17.818; 90; 96.491; 90;

COD ID: 1502983

Formula: - C11 H11 N S2 -
Comments: Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle. Organic letters 12(10) (2010) 2386-2389
Space group: P 1 21/a 1
Cell volume: 1075.67
Cell parameters: 8.0518; 15.3345; 8.7652; 90; 96.317; 90;

COD ID: 1503076
CIF file	Formula: - C17 H23 N O - Comments: Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals. Organic letters 12(15) (2010) 3390-3393 Space group: P 1 21/a 1 Cell volume: 1504.41 Cell parameters: 9.73374; 10.3541; 15.0615; 90; 82.338; 90;

COD ID: 1503087
CIF file	Formula: - C24 H26 O2 - Comments: Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne. Organic letters 12(15) (2010) 3450-3452 Space group: P 1 21/a 1 Cell volume: 1892.91 Cell parameters: 10.2808; 15.2707; 12.1045; 90; 95.07; 90;

COD ID: 1503180
CIF file	Formula: - C20 H35 Cl O2 Si - Comments: Matsuo, Jun-ichi; Kawano, Mizuki; Okuno, Ryosuke; Ishibashi, Hiroyuki Titanium(IV) chloride-mediated carbon-carbon bond-forming reaction between 3,3-dialkylcyclobutanones and aldehydes. Organic letters 12(17) (2010) 3960-3962 Space group: P 1 21/a 1 Cell volume: 2148 Cell parameters: 9.956; 20.04; 11.392; 90; 109.09; 90;

COD ID: 1503188
CIF file	Formula: - C22 H19 F N2 O - Comments: Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio Rhodium-catalyzed asymmetric arylation of azomethine imines. Organic letters 12(18) (2010) 4106-4109 Space group: P 1 21/a 1 Cell volume: 1812.7 Cell parameters: 10.266; 16.834; 11.491; 90; 114.101; 90;

COD ID: 1503280

Formula: - C25 H16 N6 -
Comments: Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties. Organic letters 12(21) (2010) 5036-5039
Space group: P 1 21/a 1
Cell volume: 1918.4
Cell parameters: 9.588; 18.682; 11.326; 90; 108.987; 90;

COD ID: 1503321
CIF file	Formula: - C10 H12 Cu O5 S - Comments: Matsuo, Kazumasa; Shindo, Mitsuru Cu(II)-catalyzed acylation by thiol esters under neutral conditions: tandem acylation-wittig reaction leading to a one-pot synthesis of butenolides. Organic letters 12(22) (2010) 5346-5349 Space group: P 1 21/a 1 Cell volume: 1163.8 Cell parameters: 12.191; 7.1808; 13.68; 90; 103.631; 90;

COD ID: 1503427

Formula: - C56.3 H46.3 Cl3.9 F12 N3 P2 -
Comments: Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Sato, Kazunobu; Takui, Takeji; Kubo, Takashi Synthesis and identification of a trimethylenemethane derivative pi-extended with three pyridinyl radicals. Organic letters 12(4) (2010) 836-839
Space group: P 1 21/a 1
Cell volume: 5558
Cell parameters: 17.276; 17.432; 18.466; 90; 91.919; 90;

COD ID: 1503582

Formula: - C26 H16 -
Comments: Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes. Organic letters 14(1) (2012) 418-421
Space group: P 1 21/a 1
Cell volume: 1663.8
Cell parameters: 9.587; 6.368; 27.417; 90; 96.254; 90;

COD ID: 1503862

Formula: - C52 H38 -
Comments: Kitazawa, Kentaroh; Kochi, Takuya; Sato, Mitsuo; Kakiuchi, Fumitoshi Convenient synthesis of tetra- and hexaarylanthracenes by means of RuH2(CO)(PPh3)3-catalyzed C-H arylation of anthraquinone with arylboronates. Organic letters 11(9) (2009) 1951-1954
Space group: P 1 21/a 1
Cell volume: 3638
Cell parameters: 14.8; 14.463; 16.996; 90; 90.6671; 90;

COD ID: 1503980

Formula: - C17 H18 Cl N O6 -
Comments: Yamazaki, Shoko; Morikawa, Satoshi; Miyazaki, Kazuya; Takebayashi, Masachika; Yamamoto, Yuko; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Mikata, Yuji Zinc-catalyzed reactions of ethenetricarboxylates with 2-(trimethylsilylethynyl)anilines leading to bridged quinoline derivatives. Organic letters 11(13) (2009) 2796-2799
Space group: P 1 21/a 1
Cell volume: 1709.4
Cell parameters: 11.5118; 8.8192; 17.5093; 90; 105.927; 90;

COD ID: 1504007
CIF file	Formula: - C28 H20 Cl2 N6 O4 - Comments: Sinan, Mominul; Panda, Manashi; Banerjee, Priyabrata; Shinisha, C. B.; Sunoj, Raghavan B.; Goswami, Sreebrata Synthesis of azoaromatic dyes via redox driven C-N bond fusion. Organic letters 11(15) (2009) 3218-3221 Space group: P 1 21/a 1 Cell volume: 2477.1 Cell parameters: 7.518; 27.568; 12.404; 90; 105.52; 90;

COD ID: 1504239
CIF file	Formula: - C13 H13 N O3 - Comments: Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals. Organic letters 11(21) (2009) 4902-4905 Space group: P 1 21/a 1 Cell volume: 1100.6 Cell parameters: 7.578; 17.794; 8.169; 90; 87.67; 90;

COD ID: 1504251
CIF file	Formula: - C13 H20 N2 O3 S - Comments: Namba, Kosuke; Shoji, Isamu; Nishizawa, Mugio; Tanino, Keiji 4-Aminopyridine catalyzed direct and regioselective acylation of N-tosylhydrazide. Organic letters 11(21) (2009) 4970-4973 Space group: P 1 21/a 1 Cell volume: 2916.2 Cell parameters: 22.641; 5.6658; 22.789; 90; 85.983; 90;

COD ID: 1504281
CIF file	Formula: - C60 H44 Br4 Cl6 N2 O4 - Comments: Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis. Organic letters 11(23) (2009) 5426-5429 Space group: P 1 21/a 1 Cell volume: 2755.2 Cell parameters: 18.099; 8.285; 19.042; 90; 105.218; 90;

COD ID: 1504361

Formula: - C12 H14 Fe -
Comments: Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)]. The journal of physical chemistry. A 112(13) (2008) 2977-2987
Space group: P 1 21/a 1
Cell volume: 991.5
Cell parameters: 10.954; 7.526; 12.334; 90; 102.81; 90;

COD ID: 1504476
CIF file	Formula: - C22 H20 O S - Comments: Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes. Organic letters 10(1) (2008) 101-104 Space group: P 1 21/a 1 Cell volume: 1800.46 Cell parameters: 17.072; 5.6379; 18.96; 90; 99.389; 90;

COD ID: 1504525

Formula: - C41 H30 N3 P -
Comments: Matano, Yoshihiro; Nakashima, Makoto; Nakabuchi, Takashi; Imahori, Hiroshi; Fujishige, Shinya; Nakano, Haruyuki Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring. Organic letters 10(4) (2008) 553-556
Space group: P 1 21/a 1
Cell volume: 2957.2
Cell parameters: 17.924; 8.0399; 21.091; 90; 103.35; 90;

COD ID: 1504694

Formula: - C15 H17 N O4 S -
Comments: Minami, Yasunori; Kuniyasu, Hitoshi; Kambe, Nobuaki One-pot syntheses of 2,3-dihydrothiopyran-4-one derivatives by Pd/Cu-catalyzed reactions of alpha,beta-unsaturated thioesters with propargyl alcohols. Organic letters 10(12) (2008) 2469-2472
Space group: P 1 21/a 1
Cell volume: 1562.01
Cell parameters: 11.1771; 14.9463; 11.0961; 90; 122.578; 90;

COD ID: 1504945
CIF file	Formula: - C14 H16 Cs N O7 - Comments: Tellam, James P.; Kociok-Köhn, Gabriele; Carbery, David R. An Ireland-Claisen approach to beta-alkoxy alpha-amino acids. Organic letters 10(22) (2008) 5199-5202 Space group: P 1 21/a 1 Cell volume: 1615.85 Cell parameters: 7.6258; 13.1985; 16.3312; 90; 100.566; 90;

COD ID: 1504968
CIF file	Formula: - C9 H20 Cl3 O2 P2 Rh - Comments: Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes. Organic letters 10(23) (2008) 5469-5472 Space group: P 1 21/a 1 Cell volume: 1691.1 Cell parameters: 11.563; 12.755; 11.583; 90; 98.139; 90;

COD ID: 1505016

Formula: - C14 H14 Cl4 Cu2 N10 -
Comments: Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells. Journal of medicinal chemistry 50(8) (2007) 1916-1924
Space group: P 1 21/a 1
Cell volume: 996.5
Cell parameters: 8.346; 14.28; 8.376; 90; 93.43; 90;

COD ID: 1505100
CIF file	Formula: - C32 H16 - Comments: Heinrich, M.A.; Pflaum, J.; Tripathi, A.K.; Frey, W.; Steigerwald, M.L.; Siegrist, T. Enantiotropic Polymorphism in Di-indenoperylene Journal of Physical Chemistry C 111(51) (2007) 18878 Space group: P 1 21/a 1 Cell volume: 1028.95 Cell parameters: 7.1709; 8.5496; 16.7981; 90; 92.416; 90;

COD ID: 1505243
CIF file	Formula: - C26 H22 O4 S2 Si2 - Comments: Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties. Organic letters 9(1) (2007) 93-96 Space group: P 1 21/a 1 Cell volume: 1250.6 Cell parameters: 13.042; 6.878; 14.555; 90; 106.698; 90;

COD ID: 1505323

Formula: - C15 H17 N O3 -
Comments: Rostami, Ali; Wang, Yong; Arif, Atta M.; McDonald, Robert; West, F. G. Intramolecular azide trapping of the Nazarov intermediate: formation of peroxy-bridged indolizidinones via a deep-seated rearrangement and aerobic oxidation. Organic letters 9(4) (2007) 703-706
Space group: P 1 21/a 1
Cell volume: 1258.5
Cell parameters: 12.7723; 7.1792; 14.2615; 90; 105.767; 90;

COD ID: 1505392
CIF file	Formula: - C19 H18 O3 S - Comments: Shindo, Mitsuru; Yoshimura, Yutaka; Hayashi, Maiko; Soejima, Hiroe; Yoshikawa, Takashi; Matsumoto, Kenji; Shishido, Kozo Synthesis of multisubstituted furans, pyrroles, and thiophenes via ynolates. Organic letters 9(10) (2007) 1963-1966 Space group: P 1 21/a 1 Cell volume: 1614.1 Cell parameters: 13.031; 9.94; 13.631; 90; 113.908; 90;

COD ID: 1505418

Formula: - C90 H122 O2 -
Comments: Dou, Xi; Yang, Xiaoyin; Bodwell, Graham J.; Wagner, Manfred; Enkelmann, Volker; Müllen, Klaus Unexpected phenyl group rearrangement during an intramolecular Scholl reaction leading to an alkoxy-substituted hexa-peri-hexabenzocoronene. Organic letters 9(13) (2007) 2485-2488
Space group: P 1 21/a 1
Cell volume: 3717.6
Cell parameters: 23.045; 6.8145; 23.8953; 90; 97.8218; 90;

COD ID: 1505553
CIF file	Formula: - C18 H10 Se2 - Comments: Ebata, Hideaki; Miyazaki, Eigo; Yamamoto, Tatsuya; Takimiya, Kazuo Synthesis, properties, and structures of benzo[1,2-b:4,5-b']bis[b]benzothiophene and benzo[1,2-b:4,5-b']bis[b]benzoselenophene. Organic letters 9(22) (2007) 4499-4502 Space group: P 1 21/a 1 Cell volume: 1350 Cell parameters: 14.646; 8.669; 10.955; 90; 103.934; 90;

COD ID: 1505600
CIF file	Formula: - C15 H18 O2 - Comments: Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C. Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles. Organic letters 9(26) (2007) 5421-5424 Space group: P 1 21/a 1 Cell volume: 1274.58 Cell parameters: 12.499; 7.7906; 13.1409; 90; 95.0722; 90;

COD ID: 1505602
CIF file	Formula: - C27 H21 N O2 - Comments: Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C. Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles. Organic letters 9(26) (2007) 5421-5424 Space group: P 1 21/a 1 Cell volume: 1944.59 Cell parameters: 9.7467; 16.6619; 12.1852; 90; 100.679; 90;

COD ID: 1505647

Formula: - C13 H18 N2 O2 Si -
Comments: Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C. Total syntheses of tambjamines C, E, F, G, H, I and J, BE-18591, and a related alkaloid from the marine bacterium Pseudoalteromonas tunicata. Organic letters 9(24) (2007) 5127-5130
Space group: P 1 21/a 1
Cell volume: 7144.4
Cell parameters: 15.0927; 31.3789; 15.938; 90; 108.825; 90;

COD ID: 1505817
CIF file	Formula: - C18 H24 N2 O5 S - Comments: Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A. Organic letters 8(1) (2006) 27-30 Space group: P 1 21/a 1 Cell volume: 1891.9 Cell parameters: 19.286; 8.198; 12.114; 90; 98.967; 90;

COD ID: 1505911
CIF file	Formula: - C151 H80 O10 - Comments: Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60. Organic letters 8(7) (2006) 1463-1466 Space group: P 1 21/a 1 Cell volume: 9869 Cell parameters: 21.326; 21.2; 23.53; 90; 111.92; 90;

COD ID: 1506030

Formula: - C24 H20 N2 -
Comments: Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations. Organic letters 8(15) (2006) 3167-3170
Space group: P 1 21/a 1
Cell volume: 1782.8
Cell parameters: 8.314; 20.024; 10.969; 90; 102.5; 90;

COD ID: 1506031

Formula: - C22 H22 O -
Comments: Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations. Organic letters 8(15) (2006) 3167-3170
Space group: P 1 21/a 1
Cell volume: 1629.9
Cell parameters: 7.996; 17.12; 12.331; 90; 105.079; 90;

COD ID: 1506039

Formula: - C19 H20 O4 -
Comments: Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation. Organic letters 8(14) (2006) 3029-3032
Space group: P 1 21/a 1
Cell volume: 1638.2
Cell parameters: 9.238; 13.245; 13.418; 90; 93.79; 90;

COD ID: 1506220
CIF file	Formula: - C21 H12 O2 - Comments: Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes. Organic letters 8(21) (2006) 4891-4894 Space group: P 1 21/a 1 Cell volume: 1359.3 Cell parameters: 7.3419; 24.75; 7.8224; 90; 107; 90;

COD ID: 1506227

Formula: - C20 N2 O2 S -
Comments: Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols. Organic letters 8(20) (2006) 4645-4647
Space group: P 1 21/a 1
Cell volume: 1822.7
Cell parameters: 9.736; 15.884; 11.886; 90; 97.432; 90;

COD ID: 1506233

Formula: - C20 H20 O -
Comments: Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols. Organic letters 8(20) (2006) 4645-4647
Space group: P 1 21/a 1
Cell volume: 1542.4
Cell parameters: 6.193; 17.433; 14.493; 90; 99.693; 90;

COD ID: 1506281
CIF file	Formula: - C15 H6 F6 S3 - Comments: Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit. Organic letters 8(23) (2006) 5381-5384 Space group: P 1 21/a 1 Cell volume: 1500.49 Cell parameters: 15.461; 5.7223; 17.076; 90; 96.684; 90;

COD ID: 1506393

Formula: - C20 H11 I N5 Ni S4 -
Comments: Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B 109(35) (2005) 16610-16615
Space group: P 1 21/a 1
Cell volume: 2360
Cell parameters: 7.565; 26.64; 12; 90; 102.64; 90;

COD ID: 1506415

Formula: - C36 H51 N7 -
Comments: Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad. The journal of physical chemistry. A 109(51) (2005) 11715-11723
Space group: P 1 21/a 1
Cell volume: 3289.8
Cell parameters: 9.2709; 32.431; 11.698; 90; 110.714; 90;

COD ID: 1506475
CIF file	Formula: - C13 H12 Br2 O2 - Comments: Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L. Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems. Organic letters 7(3) (2005) 423-425 Space group: P 1 21/a 1 Cell volume: 1227.7 Cell parameters: 16.92; 6.444; 11.27; 90; 92.45; 90;

COD ID: 1506605
CIF file	Formula: - C57 H38 N4 Zn - Comments: Cammidge, Andrew N.; Scaife, Peter J.; Berber, Gûlen; Hughes, David L. Cofacial porphyrin-ferrocene dyads and a new class of conjugated porphyrin. Organic letters 7(16) (2005) 3413-3416 Space group: P 1 21/a 1 Cell volume: 4090.23 Cell parameters: 14.1517; 11.8995; 24.3178; 90; 92.786; 90;

COD ID: 1506676
CIF file	Formula: - C13 H18 O2 - Comments: Prandi, Cristina; Deagostino, Annamaria; Venturello, Paolo; Occhiato, Ernesto G. Stereoselective synthesis of spirocyclic ketones by Nazarov reaction. Organic letters 7(20) (2005) 4345-4348 Space group: P 1 21/a 1 Cell volume: 1097 Cell parameters: 13.38; 6.27; 13.7; 90; 107.3; 90;

COD ID: 1506769
CIF file	Formula: - C16 H8 Se4 - Comments: Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro General synthesis of thiophene and selenophene-based heteroacenes. Organic letters 7(23) (2005) 5301-5304 Space group: P 1 21/a 1 Cell volume: 1457.9 Cell parameters: 12.632; 7.864; 14.964; 90; 101.258; 90;

COD ID: 1506839

Formula: - C22 H24 F9 N O S -
Comments: Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B. SF5-Terminated Fluorinated Schiff Base Liquid Crystals The Journal of Physical Chemistry B 108(52) (2004) 19940
Space group: P 1 21/a 1
Cell volume: 2345.2
Cell parameters: 18.849; 5.5418; 22.618; 90; 96.956; 90;

COD ID: 1506854
CIF file	Formula: - C22 H24 N2 - Comments: Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion Macromolecules 37(7) (2004) 2661 Space group: P 1 21/a 1 Cell volume: 867.2 Cell parameters: 12.947; 7.04; 9.542; 90; 94.4; 90;

COD ID: 1506934
CIF file	Formula: - C36 H26 Cl2 O8 - Comments: Saitoh, Terunobu; Yoshida, Suguru; Ichikawa, Junji 1,8-bis(diphenylmethylium)naphthalenediyl dication as an organic oxidant: synthesis of benzidines via self-coupling of N,N-dialkylanilines. Organic letters 6(24) (2004) 4563-4565 Space group: P 1 21/a 1 Cell volume: 2936 Cell parameters: 16.09; 10.544; 17.881; 90; 104.605; 90;

COD ID: 1506966
CIF file	Formula: - C20 H20 Br Cl O4 - Comments: Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species. Organic letters 6(24) (2004) 4475-4478 Space group: P 1 21/a 1 Cell volume: 2011 Cell parameters: 11.847; 8.94; 19.015; 90; 93.27; 90;

COD ID: 1507234
CIF file	Formula: - C45 H64 I2 N2 Ni O5 - Comments: Leung, Alfred C. W.; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J. Poly(salphenyleneethynylene)s: A New Class of Soluble, Conjugated, Metal-Containing Polymers Macromolecules 36(14) (2003) 5051 Space group: P 1 21/a 1 Cell volume: 4501.8 Cell parameters: 21.2475; 8.9428; 25.4798; 90; 111.589; 90;

COD ID: 1507235

Formula: - C14 H21 Cl3 N2 Ti -
Comments: Liguori, Dario; Centore, Roberto; Tuzi, Angela; Grisi, Fabia; Sessa, Irene; Zambelli, Adolfo Titanium Monoamidinate−MAO Catalysts: Some Information about Active Species and Stereochemical Polymerization Mechanisms Macromolecules 36(15) (2003) 5451
Space group: P 1 21/a 1
Cell volume: 1774
Cell parameters: 12.679; 10.317; 14.49; 90; 110.65; 90;

COD ID: 1507244

Formula: - C36 H30 Cl4 Cu N4 -
Comments: Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A. Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts Macromolecules 36(23) (2003) 8584
Space group: P 1 21/a 1
Cell volume: 3378
Cell parameters: 16.25; 15.629; 14.067; 90; 109.01; 90;

COD ID: 1507349
CIF file	Formula: - C17 H18 O2 - Comments: Wang, Yong; Schill, Brenden D.; Arif, Atta M.; West, F. G. Formal intermolecular 4 + 4 approach to cyclooctanoids: 4 + 3 capture of the Nazarov oxyallyl intermediate with simple 1,3-dienes. Organic letters 5(15) (2003) 2747-2750 Space group: P 1 21/a 1 Cell volume: 1330.15 Cell parameters: 7.77; 20.7979; 8.2851; 90; 96.5442; 90;

COD ID: 1507436
CIF file	Formula: - C21 H22 O2 - Comments: Clayden, Jonathan; Kenworthy, Martin N. Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization Organic Letters 4(5) (2002) 787 Space group: P 1 21/a 1 Cell volume: 1667 Cell parameters: 10.83; 10.22; 15.06; 90; 90.32; 90;

COD ID: 1507498
CIF file	Formula: - C34 H28 I2 O3 - Comments: Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units. Organic letters 4(24) (2002) 4269-4272 Space group: P 1 21/a 1 Cell volume: 3046 Cell parameters: 18.581; 7.4811; 22.069; 90; 96.821; 90;

COD ID: 1507545
CIF file	Formula: - C16 H22 N2 O6 S - Comments: Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters 3(26) (2001) 4247 Space group: P 1 21/a 1 Cell volume: 1859.8 Cell parameters: 14.1; 11.223; 11.773; 90; 93.343; 90;

COD ID: 1507600
CIF file	Formula: - C17 H23 N O3 S - Comments: Kumar, Puneet; Louie, Janis A Single Step Approach to Piperidines via Ni-Catalyzed β-Carbon Elimination. Organic letters 14(8) (2012) 2026-2029 Space group: P 1 21/a 1 Cell volume: 1691.8 Cell parameters: 8.7602; 19.148; 10.7909; 90; 110.824; 90;

COD ID: 1507636

Formula: - C28 H18 S2 -
Comments: Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT). Organic letters 14(9) (2012) 2316-2319
Space group: P 1 21/a 1
Cell volume: 981.6
Cell parameters: 6.055; 7.542; 21.6; 90; 95.65; 90;

COD ID: 1507707
CIF file	Formula: - C14 H10 N2 S3 - Comments: Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties. Organic letters 14(11) (2012) 2702-2705 Space group: P 1 21/a 1 Cell volume: 1286.2 Cell parameters: 7.427; 14.544; 12.017; 90; 97.754; 90;

COD ID: 1507950
CIF file	Formula: - C36 H32 Cl4 F6 N3 O P3 Rh - Comments: Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark Nitrenium ions as ligands for transition metals. Nature chemistry 3(7) (2011) 525-531 Space group: P 1 21/a 1 Cell volume: 4019.4 Cell parameters: 14.09; 18.71; 15.558; 90; 101.48; 90;

COD ID: 1508541

Formula: - C21 H29 N O -
Comments: Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M. Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols. The journal of physical chemistry. A 116(50) (2012) 12249-12259
Space group: P 1 21/a 1
Cell volume: 1834.4
Cell parameters: 10.0062; 11.1917; 16.797; 90; 102.784; 90;

COD ID: 1508944
CIF file	Formula: - C22 H18 O4 - Comments: Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters 15(4) (2013) 804-807 Space group: P 1 21/a 1 Cell volume: 820.46 Cell parameters: 11.3553; 7.1744; 11.5613; 90; 119.414; 90;

COD ID: 1508965
CIF file	Formula: - C17 H19 Br N2 O3 S - Comments: Gu, Peiming; Sun, Jian; Kang, Xiao-Yan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui A Formal Metal-Free N-Arylation via the Schmidt Reaction of Aromatic Aldehydes with an Azido Amine. Organic letters 15(5) (2013) 1124-1127 Space group: P 1 21/a 1 Cell volume: 1758.4 Cell parameters: 16.0215; 5.7478; 19.227; 90; 96.725; 90;

COD ID: 1509135

Formula: - C28 H38 -
Comments: Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A. Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces. Nature 477(7364) (2011) 308-311
Space group: P 1 21/a 1
Cell volume: 1894.13
Cell parameters: 13.2994; 10.3952; 14.194; 90; 105.149; 90;

COD ID: 1509419
CIF file	Formula: - Ag K N2 O6 - Comments: Zobetz, E. Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 111 (1980) 1253-1263 Space group: P 1 21/a 1 Cell volume: 563.103 Cell parameters: 13.953; 4.955; 8.22; 90; 97.76; 90;

COD ID: 1509423
CIF file	Formula: - Ag K O6 P2 - Comments: Averbuch-Pouchot, M.T. Structural investigation of a new series of long-chain polyphosphates. Crystal structure of Ag K (P O3)2 and crystal data for Ag M (P O3)2 with M= K, Rb, Cs and Tl Journal of Solid State Chemistry 102 (1993) 93-99 Space group: P 1 21/a 1 Cell volume: 594.043 Cell parameters: 7.49; 13.175; 6.037; 90; 94.32; 90;

COD ID: 1509472
CIF file	Formula: - Ag N2 O6 Rb - Comments: Zobetz, E. Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 111 (1980) 1253-1263 Space group: P 1 21/a 1 Cell volume: 589.559 Cell parameters: 14.195; 5.039; 8.304; 90; 96.99; 90;

COD ID: 1509697
CIF file	Formula: - Ag2 O3 Te - Comments: Masse, R.; Trodjman, I.; Guitel, J.C. Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3 Materials Research Bulletin 15 (1980) 431-436 Space group: P 1 21/a 1 Cell volume: 363.11 Cell parameters: 7.004; 10.547; 4.917; 90; 91.44; 90;

COD ID: 1509744
CIF file	Formula: - Ag2.76 Mo12 O44 P4 - Comments: Ledain, S.; Leclaire, A.; Provost, J.; Borel, M.M.; Raveau, B. A monophosphate molybdenum bronze built up from Re O3-type slabs: Ag(0.7) Mo3 O7 (P O4) Journal of Solid State Chemistry 140 (1998) 128-133 Space group: P 1 21/a 1 Cell volume: 828.218 Cell parameters: 23.857; 5.2999; 6.5659; 90; 93.95; 90;

COD ID: 1510187

Formula: - Au I4 Li -
Comments: Abram, U.; Straehle, J.; Schulz Lang, E. Synthese, Eigenschaften und Struktur von Li Au I4 und K Au I4 mit einer Diskussion der kristallchemischen Verwandtschaft zwischen den Halogenauraten Rb Au Cl4, Ag Au Cl4, Rb Au Br4 und LiAuI4 Zeitschrift fuer Anorganische und Allgemeine Chemie 623 (1997) 1791-1795
Space group: P 1 21/a 1
Cell volume: 397.081
Cell parameters: 15.117; 4.339; 7.1; 90; 121.5; 90;

COD ID: 1510399
CIF file	Formula: - Au2 F6 O18 S6 - Comments: Aubke, F.; Willner, H.; Rettig, S.J.; Trotter, J. The crystal and molecular structure of gold tris(fluorosulfate) Canadian Journal of Chemistry 69 (1991) 391-396 Space group: P 1 21/a 1 Cell volume: 964.102 Cell parameters: 9.7; 9.222; 10.81; 90; 94.43; 90;

COD ID: 1510799
CIF file	Formula: - B2 O5 Sr2 - Comments: Bartl, H.; Schuckmann, W. Zur Struktur des Strontium-Pyroborates Sr2 B2 O5 Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1966 (1966) 253-258 Space group: P 1 21/a 1 Cell volume: 488.292 Cell parameters: 11.85; 5.35; 7.71; 90; 92.6; 90;

COD ID: 1511173
CIF file	Formula: - B Ge Nd O5 - Comments: Kaminskii, A.A.; Mill', B.V.; Belokoneva, E.L.; Butashin, A.V. Polymorphism of Ln B Ge O5 compounds Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 27 (1991) 1700-1707 Space group: P 1 21/a 1 Cell volume: 379.347 Cell parameters: 10.048; 7.61; 4.964; 90; 91.98; 90;

COD ID: 1511886

Formula: - C22 H14 O5 -
Comments: Maruo, Sayako; Nishio, Kazuyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori Biomimetic Synthesis of Zeylanone and Zeylanone Epoxide by Dimerization of 2-Methyl-1,4-naphthoquinone Organic Letters 15(7) (2013) 1556
Space group: P 1 21/a 1
Cell volume: 1666.27
Cell parameters: 12.1557; 11.7061; 12.5509; 90; 111.094; 90;

COD ID: 1512041

Formula: - C6 H7 I N2 O -
Comments: Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C. Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems. Organic letters 15(11) (2013) 2616-2619
Space group: P 1 21/a 1
Cell volume: 2391.66
Cell parameters: 8.2495; 22.3491; 13.1812; 90; 100.218; 90;

COD ID: 1512212
CIF file	Formula: - C19 H24 O3 - Comments: Schröder, Sybrin P; Taylor, Nicholas J.; Jackson, Paula; Franckevičius, Vilius Catalytic decarboxylative alkenylation of enolates. Organic letters 15(14) (2013) 3778-3781 Space group: P 1 21/a 1 Cell volume: 1633.8 Cell parameters: 14.603; 19.3678; 7.3303; 90; 127.998; 90;

COD ID: 1512416

Formula: - C24 H24 Fe O4 -
Comments: Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies Inorganica Chimica Acta 390 (2012) 184-189
Space group: P 1 21/a 1
Cell volume: 1977.4
Cell parameters: 10.1967; 11.9793; 16.1904; 90; 90.853; 90;

COD ID: 1512608

Formula: - C24 H30 N2 O4 Pt -
Comments: Yuriko Abe; Yuko Takagi; Miyuki Nakamura; Tomoaki Tanase; Miho Yokokawa; Hidetomo Mukai; Kazuchika Ohta Structural, Photophysical, and Mesomorphic Properties of Luminescent Platinum(II)-Salen Schiff Base Complexes Inorganica Chimica Acta 392 (2012) 254-260
Space group: P 1 21/a 1
Cell volume: 2281.3
Cell parameters: 12.107; 7.056; 26.797; 90; 94.771; 90;

COD ID: 1512711

Formula: - C27 H31 F6 N4 O3 P Ru -
Comments: Luc J. Boudreau; Terri L. Clarke; Adrian H. Murray; Katherine N. Robertson; T. Stanley Cameron; Manuel A.S. Aquino Sterically-directed disassembly of diruthenium(II,III) tetraacetate using substituted and unsubstituted 2,2'-bipyridines and 1,10-phenanthrolines Inorganica Chimica Acta 393 (2012) 152-158
Space group: P 1 21/a 1
Cell volume: 2849
Cell parameters: 14.5527; 14.5492; 15.2941; 90; 118.38; 90;

COD ID: 1512868
CIF file	Formula: - C42 H56 N2 O8 U - Comments: Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands Polyhedron 25(5) (2006) 1223-1232 Space group: P 1 21/a 1 Cell volume: 1982.59 Cell parameters: 8.795; 20.8201; 10.9669; 90; 99.156; 90;

COD ID: 1513161
CIF file	Formula: - C17 H25 N3 O2 - Comments: Mercalli, Valentina; Meneghetti, Fiorella; Tron, Gian Cesare Isocyanide-Mediated Multicomponent Synthesis of C-Oximinoamidines Organic Letters 15(22) (2013) 5902 Space group: P 1 21/a 1 Cell volume: 1640 Cell parameters: 11.62; 8.989; 15.81; 90; 96.74; 90;

COD ID: 1513264

Formula: - C18 H18 O2 -
Comments: Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes† Langmuir 25(15) (2009) 8606-8614
Space group: P 1 21/a 1
Cell volume: 1424.9
Cell parameters: 8.6007; 7.8074; 21.612; 90; 100.929; 90;

COD ID: 1513266

Formula: - C20 H22 O2 -
Comments: Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes† Langmuir 25(15) (2009) 8606-8614
Space group: P 1 21/a 1
Cell volume: 1627.37
Cell parameters: 8.5062; 7.964; 24.0314; 90; 91.547; 90;

COD ID: 1514183

Formula: - C6 Al K O5 Si2 -
Comments: Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit The Journal of Physical Chemistry C 118(14) (2014) 7458
Space group: P 1 21/a 1
Cell volume: 941.86
Cell parameters: 10.1307; 9.1486; 10.6002; 90; 106.526; 90;

COD ID: 1514184

Formula: - C6 Al K0.883 O7.255 Si2 -
Comments: Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit The Journal of Physical Chemistry C 118(14) (2014) 7458
Space group: P 1 21/a 1
Cell volume: 1131.61
Cell parameters: 10.831; 10.4782; 10.6059; 90; 109.924; 90;

COD ID: 1514185

Formula: - C15 H12 B F2 N O -
Comments: Yoshii, Ryousuke; Tanaka, Kazuo; Chujo, Yoshiki Conjugated Polymers Based on Tautomeric Units: Regulation of Main-Chain Conjugation and Expression of Aggregation Induced Emission Property via Boron-Complexation Macromolecules 47(7) (2014) 2268
Space group: P 1 21/a 1
Cell volume: 1260.8
Cell parameters: 14.493; 6.0834; 15.009; 90; 107.679; 90;

COD ID: 1514283

Formula: - C32 H21 N O -
Comments: Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods. Chemical science (Royal Society of Chemistry : 2010) 5(5) (2014) 1915-1927
Space group: P 1 21/a 1
Cell volume: 2152.6
Cell parameters: 8.5103; 30.003; 9.119; 90; 112.41; 90;

COD ID: 1514732
CIF file	Formula: - C30 H42 N2 Si - Comments: Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science 4(11) (2013) 4212 Space group: P 1 21/a 1 Cell volume: 2755.63 Cell parameters: 15.1354; 9.24; 20.128; 90; 101.781; 90;

COD ID: 1514859

Formula: - C2 H16 N10 O7 Pt2 -
Comments: Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles. Metallomics : integrated biometal science 5(5) (2013) 461-468
Space group: P 1 21/a 1
Cell volume: 1557
Cell parameters: 6.76; 12.76; 18.06; 90; 92.31; 90;

COD ID: 1515156
CIF file	Formula: - C24 H14 O6 - Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133 Space group: P 1 21/a 1 Cell volume: 915.66 Cell parameters: 5.9382; 22.9614; 6.718; 90; 91.539; 90;

COD ID: 1515236
CIF file	Formula: - C21 H19 B - Comments: Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science 3(5) (2012) 1461 Space group: P 1 21/a 1 Cell volume: 3272.8 Cell parameters: 7.9976; 30.448; 13.5205; 90; 96.2528; 90;

COD ID: 1515272
CIF file	Formula: - C74.5 H22.25 Cl3.25 F24 N5 O P - Comments: Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science 3(1) (2012) 103 Space group: P 1 21/a 1 Cell volume: 12572.3 Cell parameters: 29.5322; 10.3705; 41.5808; 90; 99.1602; 90;

COD ID: 1515330

Formula: - C46 H61 B F2 N4 O11 -
Comments: Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D. Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates Photochemical & Photobiological Sciences 11(11) (2012) 1666
Space group: P 1 21/a 1
Cell volume: 4610.68
Cell parameters: 11.339; 30.546; 13.56; 90; 100.98; 90;

COD ID: 1515486
CIF file	Formula: - C2 H3 Mn O3 - Comments: Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K. Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2 Chemical Science 2(10) (2011) 1929 Space group: P 1 21/a 1 Cell volume: 345.57 Cell parameters: 5.8745; 7.4316; 7.9227; 90; 92.414; 90;

COD ID: 1515487
CIF file	Formula: - C6 H10 Mn2 O6 - Comments: Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K. Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2 Chemical Science 2(10) (2011) 1929 Space group: P 1 21/a 1 Cell volume: 922.95 Cell parameters: 8.1023; 9.3777; 12.5161; 90; 103.948; 90;

COD ID: 1515488
CIF file	Formula: - C7 H12 Mn2 O6 - Comments: Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K. Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2 Chemical Science 2(10) (2011) 1929 Space group: P 1 21/a 1 Cell volume: 1018.8 Cell parameters: 8.1123; 9.3629; 13.462; 90; 94.88; 90;

COD ID: 1515690
CIF file	Formula: - C49 H43 B F4 P2 Pt - Comments: Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl Chemical Science 2(1) (2011) 117 Space group: P 1 21/a 1 Cell volume: 4087.9 Cell parameters: 13.742; 20.974; 14.377; 90; 99.419; 90;

COD ID: 1515743

Formula: - C16 H13 N O2 -
Comments: Maeda, Hajime; Chiyonobu, Kazuhiko; Mizuno, Kazuhiko Hydrogen-bonding directed, regioselective photocycloaddition reactions of cyanonaphthalenes with furanmethanols. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 10(9) (2011) 1445-1449
Space group: P 1 21/a 1
Cell volume: 1269
Cell parameters: 11.8; 6.73; 16.57; 90; 105.29; 90;

COD ID: 1516384

Formula: - C5 H6 N2 O4 -
Comments: Guidoni, Leonardo; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate. The journal of physical chemistry. A 113(1) (2009) 353-359
Space group: P 1 21/a 1
Cell volume: 595.671
Cell parameters: 15.77423; 8.07596; 5.00886; 90; 111.009; 90;

COD ID: 1516478
CIF file	Formula: - C17 H16 Br N O4 S - Comments: Medina, Florian; Besnard, Céline; Lacour, Jérôme One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates. Organic letters 16(12) (2014) 3232-3235 Space group: P 1 21/a 1 Cell volume: 1759.24 Cell parameters: 12.4111; 11.2306; 12.7572; 90; 98.363; 90;

COD ID: 1516898

Formula: - C19 H22 Cl3 Fe N O Pt S -
Comments: Karlheinz Sunkel; Ramona Branzan; Stefan Weigand 2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac) Inorganica Chimica Acta 399 (2013) 193-199
Space group: P 1 21/a 1
Cell volume: 2130
Cell parameters: 9.3079; 26.2435; 9.7687; 90; 116.795; 90;

COD ID: 1517160
CIF file	Formula: - C42.5 H53.5 Cl3 N4 O0.25 Pd S2 - Comments: Yang, Dan; Chen, Ying-Chun; Zhu, Nian-Yong Sterically bulky thioureas as air- and moisture-stable ligands for pd-catalyzed Heck reactions of aryl halides. Organic letters 6(10) (2004) 1577-1580 Space group: P 1 21/a 1 Cell volume: 18159 Cell parameters: 21.56; 31.285; 27.132; 90; 97.14; 90;

COD ID: 1518199
CIF file	Formula: - F5 H5 N2 Sn2 - Comments: Vilminot, S.; Granier, W.; Wahbi, H.; Cot, L. Etude structurale de N2H5Sn2F5 Revue de Chimie Minerale 24 (1987) 362-367 Space group: P 1 21/a 1 Cell volume: 645.7 Cell parameters: 8.952; 7.218; 11.111; 90; 115.93; 90;

COD ID: 1518331

Formula: - C5 H8 Ag Br2 N2 -
Comments: Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules Inorganica Chimica Acta 425 (2015) 52-60
Space group: P 1 21/a 1
Cell volume: 912.26
Cell parameters: 8.2464; 12.5278; 9.1307; 90; 104.737; 90;

COD ID: 1518333

Formula: - C12 H20 Ag2 Br4 N4 -
Comments: Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules Inorganica Chimica Acta 425 (2015) 52-60
Space group: P 1 21/a 1
Cell volume: 2017.53
Cell parameters: 7.049; 21.8537; 13.1219; 90; 93.54; 90;

COD ID: 1518746

Formula: - C19 H33 N5 O2 -
Comments: Hietapelto, Vesa; Huuskonen, Juhani; Laitinen, Risto S.; Leppa-aho, Jaakko; Pursiainen, Jouni Preparation, Characterization and Complexation of 4,6-Dimethyl-1,3-bis{methyl[1-(2-hydroxyethyl)piperazyl]}benzene and 2,6-Di{methyl[1-(2-hydroxyethyl)piperazyl]}pyridine Acta Chemica Scandinavica 53 (1999) 194-201
Space group: P 1 21/a 1
Cell volume: 2002.7
Cell parameters: 9.998; 15.476; 12.957; 90; 92.64; 90;

COD ID: 1519005
CIF file	Formula: - Ba Ca H2 O8 P2 - Comments: Taher, L. B.; Chabchoub, S.; Smiri-Dogguy, L. Investigation of mixed alkaline earth phosphates. Synthesis and crystal structure of CaBa(HPO4)2 : A new mixed alkaline earth hydrogenmonophosphate Solid State Sciences 1 (1999) 15-24 Space group: P 1 21/a 1 Cell volume: 667.1 Cell parameters: 9.47; 7.93; 9.865; 90; 115.78; 90;

COD ID: 1519083

Formula: - C14 H12 Cu N2 Na2 O11 -
Comments: Sileo, Elsa E.; Rigotti, Graciela; Piro, Oscar E. Solid-State Coordination Chemistry of Pyridinedicarboxylic Acid Isomers. II. Crystal and Molecular Structure of Sodium Bis(pyridine-2,4-dicarboxylato)cuprate(II) trihydrate. Acta Chemica Scandinavica 53 (1999) 535-541
Space group: P 1 21/a 1
Cell volume: 1679.2
Cell parameters: 12.969; 8.3153; 16.004; 90; 103.36; 90;

COD ID: 1519140
CIF file	Formula: - C22 H50 N2 P2 Se2 Zn - Comments: Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B. C22H50N2P2Se2Zn Crystal Structure Report Archive (1994) 1195 Space group: P 1 21/a 1 Cell volume: 3006 Cell parameters: 15.815; 11.848; 16.041; 90; 90.565; 90;

COD ID: 1519617

Formula: - C11 H8 Cl N O3 -
Comments: Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides Macromolecules 48(9) (2015) 2935
Space group: P 1 21/a 1
Cell volume: 1065.4
Cell parameters: 9.396; 11.516; 9.933; 90; 97.59; 90;

COD ID: 1519937

Formula: - Co0.14 H8 Mg0.29 Mn0.44 Na1.96 Ni0.06 O12 S2.03 -
Comments: Kasatkin, A. V.; Nestola, F.; Plášil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Goliáš, V.; Birch, W. D. Manganoblödite, Na2Mn(SO4)2·4H2O, and cobaltoblödite, Na2Co(SO4)2·4H2O: two new members of the blödite group from the Blue Lizard mine, San Juan County, Utah, USA Mineralogical Magazine 77(3) (2013) 367-383
Space group: P 1 21/a 1
Cell volume: 502.2
Cell parameters: 11.137; 8.279; 5.5381; 90; 100.423; 90;

COD ID: 1520666
CIF file	Formula: - C80 H162 Ge2 Si14 - Comments: Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro Reaction of a diaryldigermyne with ethylene Chem. Sci. 6(10) (2015) 5526 Space group: P 1 21/a 1 Cell volume: 4911.28 Cell parameters: 12.7486; 20.8969; 18.9393; 90; 103.248; 90;

COD ID: 1520732

Formula: - C18 H28 Br6 N2 Te -
Comments: Hauge, Sverre; Maroy, Kjartan Synthesis and Crystal Structures of Phenyltrimethylammonium Salts of Hexabromotellurate(IV), [C6H5(CH3)3N]2[TeBr6], and catena-poly[(Di-mu-bromobis(tetrabromotellurate(IV)))-mu-bromine], [C6H5(CH3)3N]2n[Te2Br10.Br2]n Acta Chemica Scandinavica 52 (1998) 445-449
Space group: P 1 21/a 1
Cell volume: 1336
Cell parameters: 14.314; 10.746; 8.947; 90; 103.89; 90;

COD ID: 1520917
CIF file	Formula: - F3 In0.62 K0.38 Mg0.38 - Comments: Caramanian, A.; Dupont, N.; Gredin, P.; de Kozak, A. The crystal structure of Kx (Mgx In1-x) F3 (x=0.38): a new Magneli-bronze type fluoride Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 933-938 Space group: P 1 21/a 1 Cell volume: 1296.01 Cell parameters: 12.781; 12.787; 7.93; 90; 90; 90;

COD ID: 1521192
CIF file	Formula: - Be F0.08 Fe0.229 H0.92 Mg0.007 Mn0.776 O4.92 P - Comments: Huminicki, D.M.C.; Hawthorne, F.C. Refinement of the crystal structure of vayrynenite Canadian Mineralogist 38 (2000) 1425-1432 Space group: P 1 21/a 1 Cell volume: 359.917 Cell parameters: 5.4044; 14.5145; 4.7052; 90; 102.798; 90;

COD ID: 1521484
CIF file	Formula: - C60 Na2 Rb - Comments: Lappas, A.; Brown, C.M.; Kordatos, K.; Prassides, K.; Tanigaki, K.; Suard, E. Neutron diffraction study of the polymeric structure of Na2 Rb C60 Journal of Physics: Condensed Matter 11 (1999) 371-381 Space group: P 1 21/a 1 Cell volume: 1343.99 Cell parameters: 13.707; 14.466; 9.366; 90; 133.64; 90;

COD ID: 1521688
CIF file	Formula: - Co3 Nd4 O10 - Comments: Olafsen, A.; Hauback, B.C.; Fjellvag, H. Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d Journal of Solid State Chemistry 151 (2000) 46-55 Space group: P 1 21/a 1 Cell volume: 795.307 Cell parameters: 5.3624; 5.4451; 27.238; 90; 90.288; 90;

COD ID: 1521689
CIF file	Formula: - Nd4 Ni3 O10 - Comments: Olafsen, A.; Fjellvag, H.; Hauback, B.C. Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d Journal of Solid State Chemistry 151 (2000) 46-55 Space group: P 1 21/a 1 Cell volume: 803.189 Cell parameters: 5.3675; 5.4548; 27.433; 90; 90.312; 90;

COD ID: 1522326
CIF file	Formula: - Al2 Mo3 - Comments: Zhao, X.-H. The synthesis and structure of Al2 Mo3-x Wx O12 Gaodeng Xuexiao Huaxue Xuebao 20 (1999) 339-343 Space group: P 1 21/a 1 Cell volume: 2027.97 Cell parameters: 15.3812; 9.04167; 17.8808; 90; 125.361; 90;

COD ID: 1523702

Formula: - C13 H2 Fe O13 Ru3 -
Comments: Gilmore, C.J.; Woodward, P. Crystal and molecular structure of H2 Fe Ru3 (C O)13 : a tetrahedral hydridocarbonyl of iron and ruthenium containing asymmetric carbon bridges Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1971 (1971) 3453-3458
Space group: P 1 21/a 1
Cell volume: 3931.01
Cell parameters: 47; 8.75; 9.56; 90; 90.95; 90;

COD ID: 1524203
CIF file	Formula: - Fe2 Mo3 O12 - Comments: Chen, H.-Y. The crystal structure and twinning behavior of ferric molybdate Fe2 (Mo O4)3 Materials Research Bulletin 14 (1979) 1583-1590 Space group: P 1 21/a 1 Cell volume: 2155.46 Cell parameters: 15.707; 9.231; 18.204; 90; 125.25; 90;

COD ID: 1524698
CIF file	Formula: - Ga Ge3 K O8 - Comments: Klaska, R.; Jarchow, O. K Ga Ge3 O8, ein Paracelsian-Typ mit einwertigem Kation Naturwissenschaften 64 (1977) 92-93 Space group: P 1 21/a 1 Cell volume: 814.351 Cell parameters: 9.467; 9.876; 8.71; 90; 90; 90;

COD ID: 1524895
CIF file	Formula: - Na2 O3 Te - Comments: Masse, R.; Guitel, J.C.; Trodjman, I. Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3 Materials Research Bulletin 15 (1980) 431-436 Space group: P 1 21/a 1 Cell volume: 352.023 Cell parameters: 6.882; 10.315; 4.961; 90; 91.66; 90;

COD ID: 1524918
CIF file	Formula: - Ca0.5 F Fe Na1.5 O8 Si2 Zr - Comments: Mellini, M. Refinement of the crystal structure of Lavenite TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) 28 (1981) 99-112 Space group: P 1 21/a 1 Cell volume: 737.021 Cell parameters: 10.83; 9.98; 7.174; 90; 108.1; 90;

COD ID: 1525523
CIF file	Formula: - Ag H4 N3 O6 - Comments: Zobetz, E. Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 111 (1980) 1253-1263 Space group: P 1 21/a 1 Cell volume: 587.018 Cell parameters: 14.28; 5.04; 8.228; 90; 97.57; 90;

COD ID: 1525702

Formula: - Cs0.86 H1.56 N0.14 O4 S0.66 Se0.34 -
Comments: Bouattour, S.; Kolsi, A.W.; Mhiri, T.; Jaud, J.; Romain, F. Crystal structure and vibrational study of phase transition in the new material Cs0.86 (N H4)0.14 (H S O4)0.66 (H Se O4)0.34 Journal of Physics and Chemistry of Solids 62 (2001) 1985-1990
Space group: P 1 21/a 1
Cell volume: 458.924
Cell parameters: 7.699; 8.183; 7.799; 90; 110.93; 90;

COD ID: 1526067
CIF file	Formula: - C2 H8 I2 N4 O2 Zn - Comments: Furmanova, N.G.; Resnyanskii, V.F.; Sulaimankulov, K.S.; Sulaimankulova, D.K.; Zhorobekova, Sh.Zh. Crystal structure of a zinc iodide complex with urea: Zn I2 * 2(C O (N H2)2) Kristallografiya 46 (2001) 58-62 Space group: P 1 21/a 1 Cell volume: 1077 Cell parameters: 12.694; 6.886; 13.161; 90; 110.58; 90;

COD ID: 1526110
CIF file	Formula: - Na P2 S6 Sm - Comments: Goh, E.-Y.; Kim, E.-J.; Kim, S.-J. Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7 Journal of Solid State Chemistry 160 (2001) 195-204 Space group: P 1 21/a 1 Cell volume: 871.856 Cell parameters: 11.0717; 7.2994; 11.579; 90; 111.3; 90;

COD ID: 1526111
CIF file	Formula: - K P2 S7 Sm - Comments: Goh, E.-Y.; Kim, E.-J.; Kim, S.-J. Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7 Journal of Solid State Chemistry 160 (2001) 195-204 Space group: P 1 21/a 1 Cell volume: 1057.53 Cell parameters: 8.981; 12.254; 9.6094; 90; 90.27; 90;

COD ID: 1526158
CIF file	Formula: - Cr Fe O7 Ti2 - Comments: Grey, I.E.; Mumme, W.G. The Structure of Cr Fe Ti2 O7 Journal of Solid State Chemistry 5 (1972) 168-173 Space group: P 1 21/a 1 Cell volume: 453.539 Cell parameters: 7.032; 5; 14.425; 90; 116.59; 90;

COD ID: 1527079
CIF file	Formula: - Ca3 Cu3 O16 P4 - Comments: Anderson, J.B.; Kostiner, E.; Ruszala, F.A. The crystal structure of Ca3 Cu3 (P O4)4 Journal of Solid State Chemistry 39 (1981) 29-34 Space group: P 1 21/a 1 Cell volume: 637.553 Cell parameters: 17.619; 4.8995; 8.917; 90; 124.08; 90;

COD ID: 1527082
CIF file	Formula: - W - Comments: Andersson, G. On the crystal structure of tungsten trioxide Acta Chemica Scandinavica (1-27,1973-42,1988) 7 (1953) 154-158 Space group: P 1 21/a 1 Cell volume: 210.01 Cell parameters: 7.285; 7.517; 3.835; 90; 90; 90;

COD ID: 1527489
CIF file	Formula: - Cl5 Co H18 N6 Sn - Comments: Haupt, H.J.; Huber, F.; Preut, H. Darstellung und Kristallstruktur von Hexamminkobalt (III)-tetrachloro-stannat (II)-chlorid (Co (N H3)6)(Sn Cl4) Cl Zeitschrift fuer Anorganische und Allgemeine Chemie 422 (1976) 97-103 Space group: P 1 21/a 1 Cell volume: 1405.03 Cell parameters: 8.821; 22.197; 7.178; 90; 91.41; 90;

COD ID: 1527634
CIF file	Formula: - Mo4 O11 - Comments: Kihlborg, L. Crystal structure studies on monoclinic and orthorhombic Mo4 O11 Arkiv foer Kemi 21 (1963) 365-377 Space group: P 1 21/a 1 Cell volume: 891.909 Cell parameters: 24.54; 5.439; 6.701; 90; 94.28; 90;

COD ID: 1527762

Formula: - Cu Nb3 O8 -
Comments: Marinder, B.O.; Werner, P.E.; Wahlstroem, E.; Malmros, G. Investigations on a New Copper Niobium Oxide of Li Nb3 O8 Type Using Chemical Analysis and X-Ray Powder Diffraction Profile Analysis Acta Chemica Scandinavica, Series A: (28,1974-) 34 (1980) 51-56
Space group: P 1 21/a 1
Cell volume: 560.353
Cell parameters: 15.365; 5.0717; 7.5266; 90; 107.18; 90;

COD ID: 1527870
CIF file	Formula: - Ba H2 O4 Te - Comments: Nielsen, B.R.; Hazell, R.G.; Rasmussen, S.E. The crystal structure of barium tellurite monohydrate, Ba Te O3 H2 O Acta Chemica Scandinavica (1-27,1973-42,1988) 25 (1971) 3037-3042 Space group: P 1 21/a 1 Cell volume: 478.134 Cell parameters: 8.58; 7.53; 7.7; 90; 106.03; 90;

COD ID: 1528871
CIF file	Formula: - C8 Co2 Hg O8 - Comments: Sheldrick, G.M.; Simpson, R.N.F. The Crystal and Molecular Structure of Bis(tetracarbonylcobalt)mercury, Hg (Co (C O)4)2 Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1968 (1968) 1005-1009 Space group: P 1 21/a 1 Cell volume: 1345.84 Cell parameters: 12.586; 16.437; 6.62; 90; 100.67; 90;

COD ID: 1528897
CIF file	Formula: - Cl3 H4 K O2 Zn - Comments: Suesse, P.; Brehler, B. Die Kristallstruktur des K Zn Cl3 (H2 O)2 Beitraege zur Mineralogie und Petrographie (-11,1965) 10 (1964) 132-140 Space group: P 1 21/a 1 Cell volume: 724.687 Cell parameters: 12.03; 10.09; 6.26; 90; 107.5; 90;

COD ID: 1528968
CIF file	Formula: - H Mn2 O5 P - Comments: Waldrop, L. Crystal structure of triploidite Naturwissenschaften 55 (1968) 296-297 Space group: P 1 21/a 1 Cell volume: 1550.42 Cell parameters: 12.366; 13.276; 9.943; 90; 108.23; 90;

COD ID: 1529038
CIF file	Formula: - Mg O8 Si2 Sr3 - Comments: Yonesaki, Y.; Takei, T.; Kumada, N.; Kinomura, N. Crystal structure of Eu(2+)-doped M3 Mg Si2 O8 (M: Ba, Sr, Ca) compounds and their emission properties Journal of Solid State Chemistry 182 (2009) 547-554 Space group: P 1 21/a 1 Cell volume: 715.861 Cell parameters: 13.877; 5.4577; 9.452; 90; 90; 90;

COD ID: 1529584
CIF file	Formula: - Be2 Ca O8 P2 - Comments: Bakakin, V.V.; Belov, N.V. The crystal structure of hurlbutite Doklady Akademii Nauk SSSR 135 (1960) 587-590 Space group: P 1 21/a 1 Cell volume: 569.755 Cell parameters: 8.29; 8.8; 7.81; 90; 90; 90;

COD ID: 1529670
CIF file	Formula: - Cl2 K2 N4 O8 Pt - Comments: Bokii, G.B.; Guilinskaja, E.A. The X-ray analysis of the compounds K2 (Pt (N O2)4 Cl2) and K2 (Pt (N O2)4 Br2) Doklady Akademii Nauk SSSR 88 (1953) 975-978 Space group: P 1 21/a 1 Cell volume: 579.145 Cell parameters: 9.42; 9.47; 7.4; 90; 118.68; 90;

COD ID: 1529725

Formula: - Mn1.5 Mo8 O11 -
Comments: Carlson, C.D.; Brough, L.F.; McCarley, R.E.; Edwards, P.A. Synthesis, structure and properties of Mn1.5 Mo8 O11, a unique structure type among compounds having infinite chains of trans-edge-shared octahedral cluster units Journal of the Less-Common Metals 156 (1989) 325-339
Space group: P 1 21/a 1
Cell volume: 471.737
Cell parameters: 9.8463; 16.896; 2.8462; 90; 94.95; 90;

COD ID: 1529964
CIF file	Formula: - Ca5 H2 O10 Si2 - Comments: Ganiev, R.M.; Kharitonov, Yu.A.; Ilyukhin, V.V.; Belov, N.V. The crystal structure of calcium chondrodite Ca5 (Si O4)2 (O H)2 = Ca (O H)2 (Ca2 Si O4)2 Doklady Akademii Nauk SSSR 188 (1969) 1281-1283 Space group: P 1 21/a 1 Cell volume: 486.059 Cell parameters: 11.42; 5.05; 8.93; 90; 109.3; 90;

COD ID: 1529985

Formula: - Ca Fe2.83 H O9 Si2 -
Comments: Ghose, S.; Marezio, M.; Hewat, A.W. A neutron powder diffraction study of the crystal and magnetic structures of Ilvaite from 305K to 5K a mixed valence iron silicate with an electronic transition Physics and Chemistry of Minerals (Germany) 11 (1984) 67-74
Space group: P 1 21/a 1
Cell volume: 669.479
Cell parameters: 13.023; 8.7994; 5.8422; 90; 90.231; 90;

COD ID: 1530062
CIF file	Formula: - Al2 Mo3 O12 - Comments: Harrison, W.T.A.; Cheetham, A.K.; Faber, J.jr The crystal structure of aluminium molybdate, Al2 (M O4)3, determined by time-of-flight powder neutron diffraction Journal of Solid State Chemistry 76 (1988) 328-333 Space group: P 1 21/a 1 Cell volume: 2028.73 Cell parameters: 15.3803; 9.0443; 17.888; 90; 125.382; 90;

COD ID: 1530125
CIF file	Formula: - Cs S2 Sb - Comments: Kanishcheva, A.S.; Batog, V.N.; Mikhailov, Yu.N.; Kuznetsov, V.G. Crystal structure of Cs Sb S2 Doklady Akademii Nauk SSSR 251 (1980) 603-605 Space group: P 1 21/a 1 Cell volume: 522.253 Cell parameters: 7.059; 9.784; 7.715; 90; 101.44; 90;

COD ID: 1530293
CIF file	Formula: - Gd I3 O9 - Comments: Liminga, R.; Abrahams, S.C.; Bernstein, J.L. Paramagnetic Gd (I O3)3. Crystal Structure of the Transition Metal Iodates. IV Journal of Chemical Physics 67 (1977) 1015-1023 Space group: P 1 21/a 1 Cell volume: 805.403 Cell parameters: 13.4365; 8.5226; 7.1356; 90; 99.717; 90;

COD ID: 1530421
CIF file	Formula: - Br4 Cs2 O2 U - Comments: Mikhailov, Yu.N.; Kuznetsov, V.G. The crystal structure of cesium tetrabromouranate Cs2 (U O2 Br4) Zhurnal Neorganicheskoi Khimii 16 (1971) 2512-2516 Space group: P 1 21/a 1 Cell volume: 605.608 Cell parameters: 9.959; 9.806; 6.415; 90; 104.83; 90;

COD ID: 1530481
CIF file	Formula: - H2 O4 P Tl - Comments: Nelmes, R.J.; Choudhary, R.N.P. Structural studies of the monoclinic dihydrogen phosphates. II. A neutron-diffraction study of the Tl H2 P O4 Solid State Communications 38 (1981) 321-324 Space group: P 1 21/a 1 Cell volume: 421.019 Cell parameters: 14.308; 4.518; 6.516; 90; 91.76; 90;

COD ID: 1530583
CIF file	Formula: - K2.38 O11 Sb3.62 Ti0.38 - Comments: Piffard, Y.; Marchand, R.; Tournoux, M. Structure cristalline de K2.38 Sb3.62 Ti0.38 O11. Relation structurale entre K2.38 Sb3.62 Ti0.38 O11 et K2 Sb4 O11 Annales de Chimie (Paris) 6 (1981) 419-427 Space group: P 1 21/a 1 Cell volume: 2042.8 Cell parameters: 21.055; 10.233; 10.121; 90; 110.48; 90;

COD ID: 1530607
CIF file	Formula: - K2 N4 O8 Pd - Comments: Porai-Koshits, M.A. About the crystal structure of potassium tetranitropalladate Doklady Akademii Nauk SSSR 58 (1947) 603-605 Space group: P 1 21/a 1 Cell volume: 940.168 Cell parameters: 7.82; 12.82; 9.44; 90; 96.57; 90;

COD ID: 1530608
CIF file	Formula: - K2 N4 O8 Pt - Comments: Porai-Koshits, M.A.; Kukina, G.A.; Nikolaev, V.P. Crystal structure of potassium tetranitroplatinate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 4 (1978) 1435-1440 Space group: P 1 21/a 1 Cell volume: 911.74 Cell parameters: 7.771; 12.795; 9.219; 90; 95.93; 90;

COD ID: 1530610
CIF file	Formula: - Cl2 H6 N2 Pt - Comments: Porai-Koshits, M.A. The structure of the crystals of salt platinum trans-dichlorodiammine Trudy Instituta Kristallografii, Akademiya Nauk SSSR 9 (1954) 229-238 Space group: P 1 21/a 1 Cell volume: 266.006 Cell parameters: 8.07; 6.05; 5.46; 90; 93.75; 90;

COD ID: 1530766
CIF file	Formula: - Ca2 F Fe H Mn Na2 O17 Si4 Zr2 - Comments: Simonov, V.I.; Belov, N.V. The crystal structure of lovenite Doklady Akademii Nauk SSSR 130 (1960) 1333-1336 Space group: P 1 21/a 1 Cell volume: 707.758 Cell parameters: 10.54; 9.9; 7.14; 90; 108.2; 90;

COD ID: 1530931
CIF file	Formula: - K4 Na2 O6 Te - Comments: Untenecker, H.; Hoppe, R. Neue Oxotellurate(VI): K4 Na2 (Te O6) Journal of the Less-Common Metals 125 (1986) 223-231 Space group: P 1 21/a 1 Cell volume: 399.934 Cell parameters: 7.255; 9.833; 6.665; 90; 122.74; 90;

COD ID: 1531023
CIF file	Formula: - As2 K2 Nb2 O11 - Comments: Zid, M.F.; Jouini, T.; Omezzine, M.; Jouini, N. Preparation et structure cristalline de K2 Nb2 As2 O11 Journal of Solid State Chemistry 74 (1988) 337-342 Space group: P 1 21/a 1 Cell volume: 1069.79 Cell parameters: 10.342; 10.446; 9.971; 90; 96.72; 90;

COD ID: 1531203

Formula: - Al3.13 Ca Ce1.54 F0.14 Fe0.33 H1.6 La0.61 Mg0.53 Nd0.85 O21.86 Si5 -
Comments: Bonazzi, P.; Bindi, L.; Parodi, G.C. Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: crystal structure and polysomatic relationships with epidote and tornebohmite-(Ce) American Mineralogist 88 (2003) 223-228
Space group: P 1 21/a 1
Cell volume: 1573.26
Cell parameters: 17.77; 5.651; 17.458; 90; 116.18; 90;

COD ID: 1531433
CIF file	Formula: - Br6 Cl8 H18 Mo6 O8 - Comments: Flemstroem, A.; Hirsch, T.K.; Ojamaee, L.; Lidin, S.; Sehlstedt, L. Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6) Solid State Sciences 4 (2002) 1017-1022 Space group: P 1 21/a 1 Cell volume: 1504.69 Cell parameters: 17.4295; 9.3803; 9.3769; 90; 101.04; 90;

COD ID: 1531434
CIF file	Formula: - Cl8 H18 I6 Mo6 O8 - Comments: Flemstroem, A.; Hirsch, T.K.; Sehlstedt, L.; Lidin, S.; Ojamaee, L. Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6) Solid State Sciences 4 (2002) 1017-1022 Space group: P 1 21/a 1 Cell volume: 1697.85 Cell parameters: 18.0083; 9.7612; 9.8139; 90; 100.2; 90;

COD ID: 1533055
CIF file	Formula: - In2 O12 W3 - Comments: Richard, A.P.; Edwards, D.D. Subsolidus phase relations and crystal structures of the mixed-oxide phases in the (In2 O3)-(W O3) system Journal of Solid State Chemistry 177 (2004) 2740-2748 Space group: P 1 21/a 1 Cell volume: 2467.7 Cell parameters: 16.406; 9.663; 19.099; 90; 125.411; 90;

COD ID: 1533438
CIF file	Formula: - O15 Sr V6 - Comments: Sellier, C.; Boucher, F.; Janod, E. Crystal structure and charge order below the metal-insulator transition in the vanadium bronze beta-(Sr V6 O15) Solid State Sciences 5 (2003) 591-599 Space group: P 1 21/a 1 Cell volume: 3227.92 Cell parameters: 15.411; 21.8809; 10.15; 90; 109.42; 90;

COD ID: 1533902
CIF file	Formula: - C2 H10 Cu O8 - Comments: Omura, T.; Moriyoshi, C.; Ikeda, S.; Itoh, K.; Fukazawa, H. Structural change of Cu (H C O O)2 * 4(H2 O) associated with the antiferroelectric phase transition Ferroelectrics 270 (2002) 375-380 Space group: P 1 21/a 1 Cell volume: 409.142 Cell parameters: 8.158; 8.128; 6.286; 90; 101.01; 90;

COD ID: 1534207

Formula: - C14 N O16 Re3 -
Comments: Balbach, B.K.; Ziegler, M.L.; Helus, F.; Oberdorfer, F. Stickstoffdioxid und die Isoelektronische COOH-Gruppe als 5-Elektronendonoren in Carbonylmetallkomplexen; Herstellung und Charakterisierung der ersten 'Metallacarbonsaeure' Angewandte Chemie (German Edition) 93 (1981) 479-480
Space group: P 1 21/a 1
Cell volume: 2251.12
Cell parameters: 13.971; 17.549; 9.23; 90; 95.87; 90;

COD ID: 1534375
CIF file	Formula: - Au Br4 H4 K O2 - Comments: Cox, E.G.; Webster, K.C. The stereochemistry of quadricovalent atoms: Trivalent gold Journal of the Chemical Society 1936 (1936) 1635-1637 Space group: P 1 21/a 1 Cell volume: 481.443 Cell parameters: 9.53; 11.95; 4.24; 90; 94.4; 90;

COD ID: 1534407
CIF file	Formula: - H2 Li O5 Re - Comments: Abakumov, A.M.; Shpanchenko, R.V.; Rozova, M.G.; Mironov, A.V.; Antipov, E.V.; Bramnik, K.G. Synthesis and crystal structure of the lithium perrhenate monohydrate Li Re O4 . (H2 O) Solid State Sciences 3 (2001) 581-586 Space group: P 1 21/a 1 Cell volume: 445.547 Cell parameters: 5.6674; 10.771; 7.4738; 90; 102.422; 90;

COD ID: 1534867

Formula: - Cr2.25 Mg3.74 O16 P4 -
Comments: Maass, K.; Glaum, R.; Gruehn, R. Beitraege zum thermischen Verhalten und zur Kristallchemie von Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und Ca2.00 Cr4.00 (P O4)4 Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1663-1672
Space group: P 1 21/a 1
Cell volume: 580.931
Cell parameters: 6.427; 9.363; 10.051; 90; 106.16; 90;

COD ID: 1534926
CIF file	Formula: - Cl6 Hf Hg3 Se2 - Comments: Beck, J.; Hedderich, S. Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E= S, Se; M= Zr, Hf; X= Cl, Br) Journal of Solid State Chemistry 172 (2003) 12-16 Space group: P 1 21/a 1 Cell volume: 650.394 Cell parameters: 13.095; 7.499; 6.6272; 90; 91.992; 90;

COD ID: 1534930
CIF file	Formula: - Br6 Hg3 Se2 Zr - Comments: Beck, J.; Hedderich, S. Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br) Journal of Solid State Chemistry 172 (2003) 12-16 Space group: P 1 21/a 1 Cell volume: 717.193 Cell parameters: 13.5099; 7.5679; 7.0197; 90; 92.164; 90;

COD ID: 1534933
CIF file	Formula: - Cl6 Hg3 Se2 Zr - Comments: Beck, J.; Hedderich, S. Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br) Journal of Solid State Chemistry 172 (2003) 12-16 Space group: P 1 21/a 1 Cell volume: 652.041 Cell parameters: 13.1133; 7.4975; 6.6335; 90; 91.207; 90;

COD ID: 1534936
CIF file	Formula: - Cl6 Hg3 S2 Zr - Comments: Beck, J.; Hedderich, S. Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br) Journal of Solid State Chemistry 172 (2003) 12-16 Space group: P 1 21/a 1 Cell volume: 627.93 Cell parameters: 12.9083; 7.3497; 6.6218; 90; 91.755; 90;

COD ID: 1535392

Formula: - In4 O21 P6 -
Comments: Thauern, H.; Glaum, R. Beitraege zur Kristallchemie und zum thermischen Verhalten von wasserfreien Phosphaten. XXXIII. In2 P2 O7, ein Indium(I)-diphosphato-indat(III) und In4 (P2 O7)3 - Darstellung, Kristallisation und Kristallstrukturen Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 479-486
Space group: P 1 21/a 1
Cell volume: 1643.57
Cell parameters: 13.248; 9.7576; 13.442; 90; 108.938; 90;

COD ID: 1535453
CIF file	Formula: - Be2 Eu0.7 Fe0.86 H0.28 O10 Si2 Y1.3 - Comments: Miyawaki, R.; Nakai, I.; Nagashima, K. A refinement of the crystal structure of gadolinite American Mineralogist 69 (1984) 948-953 Space group: P 1 21/a 1 Cell volume: 360.694 Cell parameters: 10; 7.565; 4.768; 90; 90.31; 90;

COD ID: 1535915
CIF file	Formula: - Cl O Sb - Comments: Edstrand, M. On the structure of antimony(III) oxidehalides. II. The crystal structure of Sb O Cl Arkiv foer Kemi 6 (1953) 89-112 Space group: P 1 21/a 1 Cell volume: 815.802 Cell parameters: 9.54; 10.77; 7.94; 90; 90; 90;

COD ID: 1535939
CIF file	Formula: - La2 Mo4 O15 - Comments: Naruke, H.; Yamase, T. Structural investigations of R2 Mo4 O15 (R = La, Nd, Sm) and polymorphs of the R2 Mo4 O15 (R = rare earth) family Journal of Solid State Chemistry 173 (2003) 407-417 Space group: P 1 21/a 1 Cell volume: 3634.07 Cell parameters: 13.8893; 13.0757; 20.0927; 90; 95.199; 90;

COD ID: 1536334
CIF file	Formula: - Cs7 Cu6 F19 - Comments: Kaiser, V.; Babel, D. Ueber Cs2 Zn Cu3 F10 und die Kristallstruktur von Cs7 Cu6 F19 Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 222-228 Space group: P 1 21/a 1 Cell volume: 1128.02 Cell parameters: 15.593; 6.229; 11.76; 90; 99.05; 90;

COD ID: 1536411
CIF file	Formula: - Cs3 O6 P3 S3 - Comments: Palkina, K.K.; Chibiskova, N.T.; Maksimova, S.I.; Kuvshinova, T.B.; Pautina, M.S.; Volf, G.U. Structure of trithiocyclotriphosphates of potassium and cesium. Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 28 (1992) 1486-1490 Space group: P 1 21/a 1 Cell volume: 1421.56 Cell parameters: 13.013; 8.337; 13.108; 90; 91.54; 90;

COD ID: 1536581

Formula: - C2 F6 Te2 -
Comments: Dukat, W.; Gall, F.; Mootz, D.; Meyer, C.; Naumann, D.; Schulz, K.; Nowicki, G. Kristallstruktur von (C F3) Te Te (C F3) - Synthese, Charakterisierung und Eigenschaften von C F3 Te I Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 617-621
Space group: P 1 21/a 1
Cell volume: 778.848
Cell parameters: 10.13; 11.489; 6.822; 90; 101.2; 90;

COD ID: 1536728
CIF file	Formula: - Mo3.6 O14 W1.4 - Comments: Portemer, F.; Sundberg, M.R.; Kihlborg, L.; Figlarz, M. Homologues of Mo4 O11 (mon) in the Mo-W-O system prepared by soft chemistry Journal of Solid State Chemistry 103 (1993) 403-414 Space group: P 1 21/a 1 Cell volume: 1099.6 Cell parameters: 55.76999; 5.439; 6.701; 90; 32.75; 90;

COD ID: 1536782
CIF file	Formula: - H3 K5 O18 S4 - Comments: Ermer, O.; Roebke, C. Crystal structure and chemical stabilization of the triple salt (K H S O5)2 * (K H S O4) * (K2 S O4) Helvetica Chimica Acta 86 (2003) 2908-2913 Space group: P 1 21/a 1 Cell volume: 866.138 Cell parameters: 8.6154; 10.5991; 9.8293; 90; 105.207; 90;

COD ID: 1536925
CIF file	Formula: - C40 H32 N8 O52 Si24 - Comments: Zanardi, S.; Brunelli, M.; Alberti, A.; Fornes, V.; Cruciani, G.; Corma, A. Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1) Angew. Chem. Int. ed. 43 (2004) 4933-4937 Space group: P 1 21/a 1 Cell volume: 1866.68 Cell parameters: 27.7287; 4.97311; 13.93504; 90; 103.732; 90;

COD ID: 1536928
CIF file	Formula: - O2 Si - Comments: Zanardi, S.; Fornes, V.; Alberti, A.; Brunelli, M.; Corma, A.; Cruciani, G. Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1) Angew. Chem. Int. ed. 43 (2004) 4933-4937 Space group: P 1 21/a 1 Cell volume: 1145.34 Cell parameters: 17.2569; 4.9881; 13.8482; 90; 106.091; 90;

COD ID: 1537025
CIF file	Formula: - O11 S2 V2 - Comments: Richter, K.; Mattes, R. Darstellung, Ramanspektren und Kristallstrukturen von V2O3(SO4)2, K(VO(SO4)2) und NH4(VO(SO4)2) Zeitschrift fuer Anorganische und Allgemeine Chemie 611 (1992) 158-164 Space group: P 1 21/a 1 Cell volume: 808.22 Cell parameters: 9.472; 8.913; 9.891; 90; 104.56; 90;

COD ID: 1537055
CIF file	Formula: - Cs2 H6 N2 P4 - Comments: Kraus, F.; Aschenbrenner, J.C.; Korber, N. P4(2-): A 6-pi aromatic polyphosphide in dicesium cyclotetraphosphide-ammonia(1/2) Angew. Chem. Int. ed. 42 (2003) 4030-4033 Space group: P 1 21/a 1 Cell volume: 539.115 Cell parameters: 6.658; 12.579; 6.7026; 90; 106.18; 90;

COD ID: 1537343
CIF file	Formula: - C6 H32 N6 O23 Zr2 - Comments: Gorbunova, Yu.E.; Novitskaya, G.N.; Kuznetsov, V.G. Crystal structure of (N H4)6 (Zr2 (O H)2 (C O3)6) (H2 O)3 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 11 (1970) 560-562 Space group: P 1 21/a 1 Cell volume: 1335.47 Cell parameters: 18.06; 11.58; 6.99; 90; 114; 90;

COD ID: 1537402
CIF file	Formula: - F6 Li2 Pd - Comments: Henkel, H.; Hoppe, R. Neue ternaere Fluoride des Palladiums qnb Platins Zeitschrift fuer Anorganische und Allgemeine Chemie 359 (1968) 160-177 Space group: P 1 21/a 1 Cell volume: 193.139 Cell parameters: 10.09; 4.64; 4.63; 90; 117; 90;

COD ID: 1537403
CIF file	Formula: - F6 Li2 Pt - Comments: Henkel, H. Neue ternaere Fluoride des Palladiums und Platins Zeitschrift fuer Anorganische und Allgemeine Chemie 359 (1968) 160-177 Space group: P 1 21/a 1 Cell volume: 198.361 Cell parameters: 10.23; 4.68; 4.65; 90; 117; 90;

COD ID: 1537418
CIF file	Formula: - F5 Ru - Comments: Holloway, J.H.; Peacock, R.D.; Small, R.W.H. The crystal structure of ruthenium pentafluoride Journal of the Chemical Society 1964 (1964) 644-648 Space group: P 1 21/a 1 Cell volume: 666.617 Cell parameters: 12.47; 10.01; 5.42; 90; 99.83; 90;

COD ID: 1537512
CIF file	Formula: - H7 N5 O6 Ru - Comments: Khodashova, T.S.; Porai-Koshits, M.A.; Sergienko, V.S. X-Ray Structure Determination for Crystals of Dinitrohydroxonitrosodiammineruthenium Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 12 (1971) 478-485 Space group: P 1 21/a 1 Cell volume: 1512.13 Cell parameters: 11.244; 12.875; 10.504; 90; 96.061; 90;

COD ID: 1537668
CIF file	Formula: - K2 O12 U2 V2 - Comments: Appleman, D.E.; Evans, H.T.jr. The crystal structures of synthetic anhydrous carnotite, K2 (U O2)2 V2 O8, and its cesium analogue, Cs2 (U O2)2 V O8 American Mineralogist 50 (1965) 825-842 Space group: P 1 21/a 1 Cell volume: 563.445 Cell parameters: 10.47; 8.41; 6.59; 90; 103.83; 90;

COD ID: 1538346
CIF file	Formula: - Ce Se2 - Comments: Marcon, J.P.; Pascard, R. Structure cristalline du polyseleniure de cerium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 266 (1968) 270-272 Space group: P 1 21/a 1 Cell volume: 300.672 Cell parameters: 8.42; 4.21; 8.482; 90; 90; 90;

COD ID: 1538403
CIF file	Formula: - Cl2 H6 N2 Pt - Comments: Milburn, G.H.W.; Truter, M.R. The Crystal Structures of cis- and trans-Dichlorodiammineplatinum(II) Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1966 (1966) 1609-1616 Space group: P 1 21/a 1 Cell volume: 260.198 Cell parameters: 7.99; 6; 5.45; 90; 95.2; 90;

COD ID: 1539737
CIF file	Formula: - D20 N2 O14 S2 V - Comments: Deeth, R.J.; Kucharski, E.S.; Figgis, B.N.; Forsyth, J.B.; Reynolds, P.A. Structures of (ND4)2V(SO4)2(D2O)6 and (ND4)2 V.45Zn.55(SO4)2(D2O)6 at 5.8 K by neutron diffraction Australian Journal of Chemistry 41 (1988) 1289-1294 Space group: P 1 21/a 1 Cell volume: 672.292 Cell parameters: 9.13; 12.32; 6.25; 90; 107; 90;

COD ID: 1539741
CIF file	Formula: - D20 N2 O14 S2 V0.45 Zn0.55 - Comments: Deeth, R.J.; Figgis, B.N.; Forsyth, J.B.; Kucharski, E.S.; Reynolds, P.A. Structures of (ND4)2V(SO4)2(D2O)6 and (ND4)2 V.45Zn.55(SO4)2(D2O)6 at 5.8 K by neutron diffraction Australian Journal of Chemistry 41 (1988) 1289-1294 Space group: P 1 21/a 1 Cell volume: 673.028 Cell parameters: 9.14; 12.32; 6.25; 90; 107; 90;

COD ID: 1539940
CIF file	Formula: - H3 N3 Pb S2 - Comments: Weiss, J. Zur Struktur von Pb N2 S2 (N H3) Zeitschrift fuer Anorganische und Allgemeine Chemie 343 (1966) 315-322 Space group: P 1 21/a 1 Cell volume: 559.845 Cell parameters: 5.65; 16.21; 6.13; 90; 94.3; 90;

COD ID: 1539941
CIF file	Formula: - H2 N4 Ni S4 - Comments: Weiss, J.; Thewalt, U. Die Struktur von (Ni (H N2 S2)2) und (Pd (H N2 S2)2) Zeitschrift fuer Anorganische und Allgemeine Chemie 363 (1968) 159-165 Space group: P 1 21/a 1 Cell volume: 1417.55 Cell parameters: 8.43; 13.4; 12.55; 90; 90.75; 90;

COD ID: 1539942
CIF file	Formula: - H2 N4 Pd S4 - Comments: Weiss, J.; Thewalt, U. Die Struktur von (Ni (H N2 S2)2) und (Pd (H N2 S2)2) Zeitschrift fuer Anorganische und Allgemeine Chemie 363 (1968) 159-165 Space group: P 1 21/a 1 Cell volume: 740.298 Cell parameters: 7.32; 12.58; 8.74; 90; 113.1; 90;

COD ID: 1541079

Formula: - Er H O12 P4 -
Comments: Palkina, K.K.; Chudinova, N.N.; Balagina, G.M.; Maksimova, S.I.; Chibiskova, N.T. Synthesis of acid polyphosphates of rare-earth metals and the structure of Er H (P O3)4 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 18 (1982) 1561-1566
Space group: P 1 21/a 1
Cell volume: 909.591
Cell parameters: 9.574; 7.096; 13.637; 90; 100.95; 90;

COD ID: 1541188
CIF file	Formula: - F16 I3 K - Comments: Mahjoub, A.R.; Hoser, A.; Fuchs, J.; Seppelt, K. Die Struktur von Br F6(-) und verwandten Verbindungen Angewandte Chemie (German Edition) 101 (1989) 1528-1529 Space group: P 1 21/a 1 Cell volume: 2477.3 Cell parameters: 13.535; 13.638; 13.421; 90; 90.49; 90;

COD ID: 1541367
CIF file	Formula: - H6 K4 Mo5 O23 P2 - Comments: Ozeki, Tomoji; Ichida, Hikaru; Miyamae, Hiroshi; Sasaki, Yukiyoshi Crystal structure of K~4~[H~2~P~2~Mo~5~O~21~]·2H~2~O Bulletin of the Chemical Society of Japan 61(12) (1988) 4455-4457 Space group: P 1 21/a 1 Cell volume: 2310.77 Cell parameters: 13.648; 15.591; 10.889; 90; 94.21; 90;

COD ID: 1541725
CIF file	Formula: - In2 Mo3 O12 - Comments: Plyasova, L.M.; Klevtsova, R.F.; Kefeli, L.M.; Borisov, S.V. An X-ray study of In2 (Mo O4)3 Kristallografiya 13 (1968) 38-43 Space group: P 1 21/a 1 Cell volume: 2398.02 Cell parameters: 16.34; 9.55; 18.76; 90; 125; 90;

COD ID: 1541763
CIF file	Formula: - Al H18 N3 O18 - Comments: Herpin, P.; Sudarsanan, K. Structure cristalline de nitrate d'aluminium hydrate Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 595-601 Space group: P 1 21/a 1 Cell volume: 1432.02 Cell parameters: 10.86; 9.59; 13.83; 90; 96.17; 90;

COD ID: 1541855
CIF file	Formula: - C H2 S3 - Comments: Krebs, B.; Gattow, G. Das Kohlenstoffsulfid-bis-(hydrogensulfid) S C (S H)2 und das System H2 S - C S2. 6. Die Kristallstruktur der Trithiokohlensaeure bei -100 C Zeitschrift fuer Anorganische und Allgemeine Chemie 340 (1965) 294-311 Space group: P 1 21/a 1 Cell volume: 1741.95 Cell parameters: 13.12; 22.58; 5.88; 90; 90; 90;

COD ID: 1541870
CIF file	Formula: - Cu H12 O14 S2 Tl2 - Comments: Shields, K.G.; van der Zee, J.J.; Kennard, C.H.L. Thallium hexaaquacopper(II) sulfate, Cu H12 O14 S2 Tl2 (neutron) Crystal Structure Communications 1 (1972) 371-373 Space group: P 1 21/a 1 Cell volume: 688.083 Cell parameters: 9.27; 12.39; 6.22; 90; 105.6; 90;

COD ID: 1541871
CIF file	Formula: - Cs2 Cu H12 O14 S2 - Comments: Shields, K.G.; Kennard, C.H.L. Cesium hexa-aquacopper(II) sulfate, Cs2 Cu H12 O14 S2 (neutron) Crystal Structure Communications 1 (1972) 189-191 Space group: P 1 21/a 1 Cell volume: 727.394 Cell parameters: 9.42; 12.785; 6.28; 90; 105.9; 90;

COD ID: 1542049
CIF file	Formula: - H N O3 - Comments: Luzzati, V. Structure cristalline de l'acide nitrique anhydre. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 229 (1949) 1349-1351 Space group: P 1 21/a 1 Cell volume: 877.665 Cell parameters: 16.23; 8.57; 6.31; 90; 90; 90;

COD ID: 1542104
CIF file	Formula: - Al2 Ba O8 Si2 - Comments: Bakakin, V.V.; Belov, N.V. Crystal structure of paracelsian Kristallografiya 5 (1960) 864-868 Space group: P 1 21/a 1 Cell volume: 746.343 Cell parameters: 9.08; 9.58; 8.58; 90; 90; 90;

COD ID: 1542120
CIF file	Formula: - Na2 O5 Si2 - Comments: Grund, A. La structure cristalline du disilicate de soude beta-Na2 Si2 O5 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 77 (1954) 775-785 Space group: P 1 21/a 1 Cell volume: 460.759 Cell parameters: 12.26; 4.8; 8.08; 90; 104.3; 90;

COD ID: 1542664
CIF file	Formula: - C29 H36 N O9 P S - Comments: Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates. Organic letters 18(4) (2016) 880-883 Space group: P 1 21/a 1 Cell volume: 3071 Cell parameters: 16.58; 10.731; 17.82; 90; 104.369; 90;

COD ID: 1543270
CIF file	Formula: - C16 H14 N2 - Comments: Ho, Hon Eong; Oniwa, Kazuaki; Yamamoto, Yoshinori; Jin, Tienan N-Methyl Transfer Induced Copper-Mediated Oxidative Diamination of Alkynes. Organic letters 18(10) (2016) 2487-2490 Space group: P 1 21/a 1 Cell volume: 1229.51 Cell parameters: 13.8715; 5.5938; 17.2693; 90; 113.43; 90;

COD ID: 1543493

Formula: - C194 H92 Cl4 Li2 N8 Ni2 -
Comments: Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride Chem. Sci. 7(9) (2016) 5770
Space group: P 1 21/a 1
Cell volume: 5925.6
Cell parameters: 24.4; 14.864; 17.233; 90; 108.543; 90;

COD ID: 1543504
CIF file HKL data	Formula: - C23 H19 N3 O2 - Comments: Takase, Tsugiko; Soga, Yuka; Oyama, Dai 4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine IUCrData 1(6) (2016) x160950 Space group: P 1 21/a 1 Cell volume: 1827 Cell parameters: 18.28; 5.493; 18.298; 90; 96.02; 90;

COD ID: 1543839
CIF file	Formula: - C45.2 H30.81 F12 N4 O3.2 - Comments: Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu Doubly N-Methylated Porphyrinoids. Organic letters 18(12) (2016) 3006-3009 Space group: P 1 21/a 1 Cell volume: 4046 Cell parameters: 11.642; 30.056; 11.989; 90; 105.322; 90;

COD ID: 1544050

Formula: - C8 H10 O7 Sr -
Comments: Mohamed Ghazzali; Miftahul Khair; Khalid Al-Farhan; Jan Reedijk Synthesis, structure and characterisation of (mu-aqua)(diaqua)(mu3-benzene-dicarboxylate-ketaO1,O2)strontium(II) coordination polymer Inorganica Chimica Acta 409B (2014) 503-506
Space group: P 1 21/a 1
Cell volume: 1082.54
Cell parameters: 6.8224; 21.8495; 7.2677; 90; 92.233; 90;

COD ID: 1544067
CIF file	Formula: - C16 H20 N6 - Comments: Kroon, Edwin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Cleavable β-Cyanoethyl Isocyanide in the Ugi Tetrazole Reaction. Organic letters 18(19) (2016) 4762-4765 Space group: P 1 21/a 1 Cell volume: 1589.39 Cell parameters: 12.3916; 9.7149; 13.2453; 90; 94.592; 90;

COD ID: 1544389

Formula: - Li4 O8 P2 Zn -
Comments: Jensen, T.R.; Hazell, R.G.; Christensen, Norlund, A.; Hanson, J.C. Hydrothermal synthesis of lithium zinc phosphates: structural investigation of twinned alpha-Li4Zn(PO4)2 and a high temperature polymorph beta-Li4Zn(PO4)2 Journal of Solid State Chemistry 166 (2002) 341-351
Space group: P 1 21/a 1
Cell volume: 650.1
Cell parameters: 8.096; 10.242; 8.106; 90; 104.73; 90;

COD ID: 1544509
CIF file	Formula: - C H8 Ho N O9 P S - Comments: Kumada, N.; Kumon, J.; Miyagawa, K.; Yonesaki, Y.; Takei, T.; Kinomura, N.; Wang, D.; Yu, R. Preparation and crystal structure of [enH2]0.5[Ho(HPO4)(SO4)(H2O)] (en; ethylenediamine) Journal of the Ceramic Society of Japan 118 (2010) 236-240 Space group: P 1 21/a 1 Cell volume: 804.2 Cell parameters: 12.938; 6.834; 9.1; 90; 88.12; 90;

COD ID: 1544821

Formula: - C13 H14 O3 -
Comments: Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed (Z)-3-(4-Methylbenzylidene)-4-oxopentanoic acid IUCrData 1(12) (2016) x162003
Space group: P 1 21/a 1
Cell volume: 2395.6
Cell parameters: 9.2491; 18.1423; 14.3719; 90; 96.61; 90;

COD ID: 1545211
CIF file	Formula: - C14 H19 N5 O - Comments: Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander De Novo Assembly of Highly Substituted Morpholines and Piperazines. Organic letters 19(3) (2017) 642-645 Space group: P 1 21/a 1 Cell volume: 1435.09 Cell parameters: 11.5604; 7.8775; 15.7761; 90; 92.698; 90;

COD ID: 1545487

Formula: - C19 H19 N O2 -
Comments: Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha 2-(5-Methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide IUCrData 2(2) (2017) x170200
Space group: P 1 21/a 1
Cell volume: 1635.5
Cell parameters: 9.44; 14.6051; 12.321; 90; 105.68; 90;

COD ID: 1545666

Formula: - C17 H15 B F2 O2 -
Comments: Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides Photochem. Photobiol. Sci. (2017)
Space group: P 1 21/a 1
Cell volume: 2950.6
Cell parameters: 14.2946; 14.013; 15.2327; 90; 104.76; 90;

COD ID: 1545874

Formula: - C6 H11 F4 Li N4 O8 S4 -
Comments: Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures The Journal of Physical Chemistry C 121(17) (2017) 9209
Space group: P 1 21/a 1
Cell volume: 855.02
Cell parameters: 8.9922; 9.6614; 10.2093; 90; 105.422; 90;

COD ID: 1546163

Formula: - C20 H20 Br2 Mn N2 O6 Re -
Comments: Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C (2017)
Space group: P 1 21/a 1
Cell volume: 2235.2
Cell parameters: 13.849; 18.445; 8.901; 90; 100.56; 90;

COD ID: 1546403
CIF file	Formula: - F3 H6 Mn O3 - Comments: Molinier, Michel; Massa, Werner Structures of two polymorphs of MnF3.3H2O Journal of Fluorine Chemistry 57 (1992) 139-146 Space group: P 1 21/a 1 Cell volume: 511.3 Cell parameters: 8.481; 9.473; 6.473; 90; 100.51; 90;

COD ID: 1546616
CIF file	Formula: - C13 H16 Cl N5 O - Comments: Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander De Novo Assembly of Highly Substituted Morpholines and Piperazines. Organic letters 19(3) (2017) 642-645 Space group: P 1 21/a 1 Cell volume: 1422.51 Cell parameters: 11.5361; 7.8544; 15.7254; 90; 93.296; 90;

COD ID: 1547179
CIF file	Formula: - C17 H14 N2 O - Comments: Sato, Takenari; Yoshida, Takumi; Al Mamari, Hamad H.; Ilies, Laurean; Nakamura, Eiichi Manganese-Catalyzed Directed Methylation of C(sp(2))-H Bonds at 25 °C with High Catalytic Turnover. Organic letters 19(19) (2017) 5458-5461 Space group: P 1 21/a 1 Cell volume: 1306.44 Cell parameters: 14.4154; 6.024; 15.0935; 90; 94.616; 90;

COD ID: 1547245
CIF file	Formula: - C35 H56 N2 O4 Ti - Comments: Stuart L Hancock; Mary F. Mahon; Matthew D. Jones Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide Chemistry Central Journal 7 (2013) 135 Space group: P 1 21/a 1 Cell volume: 3427 Cell parameters: 19.372; 9.652; 20.395; 90; 116.015; 90;

COD ID: 1547272

Formula: - C22 H21 N3 S -
Comments: Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight Chemistry Central Journal 10 (2016) 13
Space group: P 1 21/a 1
Cell volume: 1957.3
Cell parameters: 8.3072; 13.5441; 17.41; 90; 92.275; 90;

COD ID: 1547622
CIF file	Formula: - C65 H60 Cl4 N5 O P Pd S2 - Comments: Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci. (2017) Space group: P 1 21/a 1 Cell volume: 6068 Cell parameters: 13.476; 18.301; 25.301; 90; 103.474; 90;

COD ID: 1548054

Formula: - C27 H19 N -
Comments: Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. Chemical science 9(2) (2018) 475-482
Space group: P 1 21/a 1
Cell volume: 1466.6
Cell parameters: 7.379; 22.716; 9.381; 90; 111.14; 90;

COD ID: 1548055

Formula: - C27 H19 N -
Comments: Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. Chemical science 9(2) (2018) 475-482
Space group: P 1 21/a 1
Cell volume: 1788.9
Cell parameters: 8.5137; 21.963; 9.8776; 90; 104.406; 90;

COD ID: 1548296
CIF file	Formula: - C12 H24 B2 O4 - Comments: Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications 5 (2014) 4245 Space group: P 1 21/a 1 Cell volume: 732.4 Cell parameters: 10.165; 7.482; 10.278; 90; 110.446; 90;

COD ID: 1548427

Formula: - C38 H48 B2 N2 O2 -
Comments: Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and ortho-functionalized pyridine derivatives. Chemical science 9(5) (2018) 1301-1310
Space group: P 1 21/a 1
Cell volume: 6889.6
Cell parameters: 17.6; 19.466; 20.232; 90; 96.305; 90;

COD ID: 1548435

Formula: - C37 H47 B2 N3 O2 -
Comments: Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and ortho-functionalized pyridine derivatives. Chemical science 9(5) (2018) 1301-1310
Space group: P 1 21/a 1
Cell volume: 3423
Cell parameters: 15.319; 13.7912; 17.481; 90; 112.051; 90;

COD ID: 1548840

Formula: - C6 H12 O6 -
Comments: Taguchi, Hiroaki; Sogo, Kouta; Ishii, Tomohiko; Yoshihara, Akihide; Fukada, Kazuhiro α-D,L-Sorbose IUCrData 3(1) (2018) x180114
Space group: P 1 21/a 1
Cell volume: 1450.85
Cell parameters: 12.8152; 6.29489; 18.9482; 90; 108.347; 90;

COD ID: 1548854

Formula: - C25 H30 N2 O2 S2 -
Comments: Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical science 9(10) (2018) 2666-2673
Space group: P 1 21/a 1
Cell volume: 2379.1
Cell parameters: 10.7685; 14.2394; 16.386; 90; 108.759; 90;

COD ID: 1548951

Formula: - C12 H14 F2 O -
Comments: Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-cis tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science 9(11) (2018) 3023-3028
Space group: P 1 21/a 1
Cell volume: 2070.88
Cell parameters: 13.5173; 5.57303; 27.4909; 90; 90.469; 90;

COD ID: 1549701

Formula: - C34 H30 Cl N O -
Comments: Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 17(9) (2018) 1157-1168
Space group: P 1 21/a 1
Cell volume: 2574
Cell parameters: 9.6998; 20.0864; 13.8561; 90; 107.551; 90;

COD ID: 1551044
CIF file	Formula: - C20 H24 B2 Mn N4 S2 - Comments: Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation Chemical Science (2019) Space group: P 1 21/a 1 Cell volume: 2325.9 Cell parameters: 10.179; 15.499; 15.438; 90; 107.261; 90;

COD ID: 1551194

Formula: - Ba H2 O4 Te -
Comments: Weil, Matthias Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms IUCrData 4(5) (2019)
Space group: P 1 21/a 1
Cell volume: 484.843
Cell parameters: 8.6061; 7.582; 7.7252; 90; 105.88; 90;

COD ID: 1551225

Formula: - C122 H170 Cl2 N30 Ni3 O38 Ru4 -
Comments: Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius Heterometallic 3d-4d coordination polymers assembled from trans-[RuIII(L)(CN)2]- tectons and 3d cations. Dalton transactions (Cambridge, England : 2003) 48(41) (2019) 15455-15464
Space group: P 1 21/a 1
Cell volume: 7363.2
Cell parameters: 13.4193; 41.433; 14.2634; 90; 111.803; 90;

COD ID: 1551535

Formula: - C85.6 H94.2 B2 Fe2 N6 O3.7 -
Comments: SEKINO, Mio; FURUTACHI, Hideki; TASAKI, Kyosuke; ISHIKAWA, Takanao; FUJINAMI, Shuhei; AKINE, Shigehisa; SAKATA, Yoko; SUZUKI, Masatatsu; NOMURA, Takashi; OGURA, Takashi; KITAGAWA, Teizo Crystal Structure of Bis(μ-hydroxo)diiron(II) Complex with a Dinucleating Ligand Having a Butyl Linker X-ray Structure Analysis Online 35 (2019) 5
Space group: P 1 21/a 1
Cell volume: 7414.5
Cell parameters: 21.678; 16.3791; 22.447; 90; 111.522; 90;

COD ID: 1551542
CIF file	Formula: - C40 H33 F3 N2 O - Comments: Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis Nature Chemistry 7 (2015) 227-233 Space group: P 1 21/a 1 Cell volume: 3264.5 Cell parameters: 16.718; 12.216; 16.184; 90; 99; 90;

COD ID: 1551705
CIF file	Formula: - C24 H15 N7 O14 - Comments: KAPOOR, Kamini; GUPTA, Vivek K.; VELMURUGAN, R.; SEKAR, M. Cocrystallization of Diphenylamine and Picric acid (1:2) X-ray Structure Analysis Online 28 (2012) 31 Space group: P 1 21/a 1 Cell volume: 2687.6 Cell parameters: 25.4238; 6.9922; 15.1311; 90; 92.335; 90;

COD ID: 1551753

Formula: - C38.25 H40.5 Cl0.5 O6 -
Comments: MEDDEB-LIMEM, Sondes; BESBES-HENTATI, Salma; SAID, Hechmi; MALÉZIEUX, Bernard; CHAMOREAU, Lise. Marie.; BOUVET, Marcel Electrosynthesis and Structural Studies of 5,17-Di-tert-butyl-26,28-dimethoxycalix[4]arene-25,27-diquinone X-ray Structure Analysis Online 26 (2010) 29
Space group: P 1 21/a 1
Cell volume: 3368.2
Cell parameters: 15.7058; 14.8399; 16.3334; 90; 117.778; 90;

COD ID: 1551797

Formula: - C20 H23 N7 O6 -
Comments: BANERT, Klaus; SCHUMANN, Patrick; RÜFFER, Tobias; LANG, Heinrich Synthesis and Crystal Structure of 10,20-Dimethyl-15-oxa-1,3,6,8,9,21-hexaazapentacyclo[15.3.1.16,9.13,21.08,13]tricosa-11,18-diene-2,7,14,22,23-pentaone X-ray Structure Analysis Online 25 (2009) 9
Space group: P 1 21/a 1
Cell volume: 2163.9
Cell parameters: 10.105; 20.061; 11.213; 90; 107.83; 90;

COD ID: 1552536
CIF file	Formula: - C44 H41 Cl0 N3 - Comments: Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties Chemical Science (2019) Space group: P 1 21/a 1 Cell volume: 3151.6 Cell parameters: 8.191; 35.062; 11.513; 90; 107.607; 90;

COD ID: 1552780
CIF file	Formula: - C17 H15 N O2 - Comments: KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin X-ray Structure Analysis Online 35 (2019) 47 Space group: P 1 21/a 1 Cell volume: 2656.3 Cell parameters: 15.29; 6.5298; 27.551; 90; 105.054; 90;

COD ID: 1553242
CIF file	Formula: - C18 H27 Cl N2 O - Comments: Jiménez-Sánchez, Arturo; Santillan, Rosa A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition. The Analyst 141(13) (2016) 4108-4120 Space group: P 1 21/a 1 Cell volume: 1797.47 Cell parameters: 14.388; 6.189; 20.392; 90; 98.16; 90;

COD ID: 1553406

Formula: - C34 H37 Cl N2 O8 -
Comments: Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I. Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study Molecular Systems Design & Engineering 1(4) (2016) 416
Space group: P 1 21/a 1
Cell volume: 2957
Cell parameters: 12.411; 21.348; 12.558; 90; 117.284; 90;

COD ID: 1554065

Formula: - C26 H18 -
Comments: Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis The Journal of Physical Chemistry C 120(3) (2016) 1831
Space group: P 1 21/a 1
Cell volume: 1808.8
Cell parameters: 9.4976; 20.413; 10.0843; 90; 112.307; 90;

COD ID: 1554066

Formula: - C26 H18 -
Comments: Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis The Journal of Physical Chemistry C 120(3) (2016) 1831
Space group: P 1 21/a 1
Cell volume: 1750.4
Cell parameters: 9.4051; 20.2644; 9.9777; 90; 113.003; 90;

COD ID: 1554067