Search results

Formula: - C12 H13 N O3 S -
Comments: Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks. Organic letters 13(16) (2011) 4272-4275
Space group: P b c 21
Cell volume: 2477.7
Cell parameters: 7.7751; 10.3561; 30.771; 90; 90; 90;

COD ID: 1508473
CIF file	Formula: - C6 H3 Br3 N2 - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: P b c 21 Cell volume: 867.61 Cell parameters: 7.1109; 7.8014; 15.6397; 90; 90; 90;

COD ID: 1509389
CIF file	Formula: - Ag I O3 - Comments: Masse, R.; Guitel, J.C. Preparation chimique et structure cristalline de l'iodate d'argent Ag I O3 Journal of Solid State Chemistry 32 (1980) 177-180 Space group: P b c 21 Cell volume: 637.675 Cell parameters: 7.265; 15.17; 5.786; 90; 90; 90;

COD ID: 1525194
CIF file	Formula: - Na3 Nd O8 P2 - Comments: Salmon, R.; Parent, C.; Vlasse, M.; le Flem, G. The crystal structure of a new high - Nd - concentration laser material: Na3 Nd (P O4)2 Materials Research Bulletin 13 (1978) 439-444 Space group: P b c 21 Cell volume: 4090.63 Cell parameters: 15.874; 13.952; 18.47; 90; 90; 90;

COD ID: 1529892
CIF file	Formula: - K3 Mo3 O12 Sc - Comments: Efremov, V.A.; Trunov, V.K.; Velikodnyi, Yu.A.; Kudin, O.V.; Makarevich, L.G. The double molybdate K3 Sc (Mo O4)3 Zhurnal Neorganicheskoi Khimii 26 (1981) 2112-2116 Space group: P b c 21 Cell volume: 1382 Cell parameters: 9.327; 10.867; 13.635; 90; 90; 90;

COD ID: 1531076
CIF file	Formula: - Al H28 Mo6 O35 Sm - Comments: Andreev, G.B.; Fedoseev, A.M.; Budantseva, N.A.; Antipin, M.Yu. Crystal structure of samarium hexamolybdoaluminate, Sm (Al (O H)6 Mo6 O18) * 11(H2 O) Kristallografiya 47 (2002) 439-441 Space group: P b c 21 Cell volume: 2868.32 Cell parameters: 10.927; 11.757; 22.327; 90; 90; 90;

COD ID: 1535116
CIF file	Formula: - Ge3 K3.8 Nb5 O20.4 - Comments: Belokoneva, E.L.; Mill', B.V.; Butashin, A.V. Crystal structure of a new circled germanate K3.8Nb5(Ge3O9)O11.4 Zhurnal Neorganicheskoi Khimii 38 (1993) 1455-1460 Space group: P b c 21 Cell volume: 1902.12 Cell parameters: 7.064; 12.177; 22.113; 90; 90; 90;

COD ID: 1535526

Formula: - C6 H26 Co N12 O11 S -
Comments: Toshev, M.T.; Dustov, H.B.; Radzhabov, Sh.L.; Saidov, S.O.; Davranov, M.D.; Sulaimankulov, K.S. X-ray structural study of crystal structure of hexa(carbamide)cobalt(II) sulfate monohydrate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 21 (1995) 132-135
Space group: P b c 21
Cell volume: 2197.38
Cell parameters: 7.232; 15.115; 20.102; 90; 90; 90;

COD ID: 1547198

Formula: - C21 H21 N2 O1.5 -
Comments: Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae. Analytical chemistry 89(19) (2017) 10625-10636
Space group: P b c 21
Cell volume: 6905.2
Cell parameters: 11.0775; 16.52; 37.7334; 90; 90; 90;

COD ID: 1562620

Formula: - C5 H14 B3 F12 K N2 -
Comments: Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite Chemical Science (2021)
Space group: P b c 21
Cell volume: 1401.2
Cell parameters: 10.2792; 9.3759; 14.5388; 90; 90; 90;

COD ID: 1565074
CIF file	Formula: - C18 H24 Cl2 N2 O4 - Comments: Feng, Shangwei; Huang, Qiuqin; Yang, Shuming; Lin, Zhenghuan; Ling, Qidan A metal-free 2D layered organic ammonium halide framework realizing full-color persistent room-temperature phosphorescence Chemical Science (2021) Space group: P b c 21 Cell volume: 1944.86 Cell parameters: 5.97246; 9.0205; 36.0997; 90; 90; 90;

COD ID: 2000792
CIF file Original IUCr paper	Formula: - C8 H11 N O2 S - Comments: Elmore, D. T.; Jones, J. H.; Raissi, M.; Prout, K. <i>N</i>-Benzylmethanesulfonamide Acta Crystallographica Section C 48(7) (1992) 1331-1333 Space group: P b c 21 Cell volume: 917.262 Cell parameters: 5.4732; 8.6274; 19.4255; 90; 90; 90;

COD ID: 2000933
CIF file Original IUCr paper	Formula: - C18 H13 P - Comments: Alyea, E. C.; Ferguson, G.; Gallagher, J. F. Structure of 5-phenyldibenzophosphole Acta Crystallographica Section C 48(5) (1992) 959-961 Space group: P b c 21 Cell volume: 2758.7 Cell parameters: 8.486; 12.387; 26.244; 90; 90; 90;

COD ID: 2001581
CIF file Original IUCr paper	Formula: - C9 H10 Cl2 N2 O2 - Comments: Cadiergue, H.; Pèpe, G.; Astier, J. P.; Boistelle, R.; Fiard, J. F. Structure of linuron, 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea Acta Crystallographica Section C 49(6) (1993) 1078-1080 Space group: P b c 21 Cell volume: 1119 Cell parameters: 6.133; 8.834; 20.653; 90; 90; 90;

COD ID: 2001926
CIF file Original IUCr paper	Formula: - C6 H10 N2 O2 - Comments: Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z. Structures of three alicyclic α-dioximes with a ring size of six to eight Acta Crystallographica Section C 49(3) (1993) 635-639 Space group: P b c 21 Cell volume: 709.2 Cell parameters: 7.902; 12.009; 7.474; 90; 90; 90;

COD ID: 2002102
CIF file Original IUCr paper	Formula: - C8 H16 Cl2 Pd S4 - Comments: Blake, A. J.; Freeman, G.; Schröder, M.; Yellowlees, L. J. [12]aneS~4~PdCl~2~ Acta Crystallographica Section C 49(1) (1993) 167-168 Space group: P b c 21 Cell volume: 1408.8 Cell parameters: 7.5289; 14.5526; 12.8578; 90; 90; 90;

COD ID: 2003520
CIF file Original IUCr paper	Formula: - C13 H9 N O - Comments: Kubicki, M.; Borowiak, T.; Antkowiak, W. Z. 10-Hydroxybenzo[<i>h</i>]quinoline Acta Crystallographica Section C 51(6) (1995) 1173-1175 Space group: P b c 21 Cell volume: 1901.5 Cell parameters: 4.653; 15.191; 26.902; 90; 90; 90;

COD ID: 2004047
CIF file Original IUCr paper	Formula: - C23 H24 Cl N3 O2 - Comments: Blaton, N. M.; Peeters, O. M.; De Ranter, C. J. 1,8-Dimethyl-2-(3-furanoylaminomethyl)-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride Acta Crystallographica Section C 51(10) (1995) 2177-2179 Space group: P b c 21 Cell volume: 2149 Cell parameters: 7.653; 15.98; 17.57; 90; 90; 90;

COD ID: 2009341
CIF file Original IUCr paper	Formula: - C14 H26 O4 Zn - Comments: Jerôme Peultier; Michel Francois; Jean Steinmetz Anhydrous polymeric zinc(II) heptanoate Acta Crystallographica Section C 55(12) (1999) 2064-2065 Space group: P b c 21 Cell volume: 1649.7 Cell parameters: 4.7651; 9.3404; 37.066; 90; 90; 90;

COD ID: 2009428
CIF file Original IUCr paper	Formula: - C9 H24 Cl3 Co N4 O4 - Comments: Lu, T.-H.; Lai, C.-Y.; Chung, C.-S. <i>trans</i>-Dichloro[(2<i>RS</i>,5<i>RS</i>,9<i>SR</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]cobalt(III) perchlorate, [CoCl~2~(C~9~H~24~N~4~)]ClO~4~ Acta Crystallographica Section C 50(2) (1994) 202-203 Space group: P b c 21 Cell volume: 1684 Cell parameters: 6.366; 15.052; 17.574; 90; 90; 90;

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

COD ID: 2020146
CIF file	Formula: - H3 O9 S2 Sb - Comments: Mercier, R.; Douglade, J.; Sheldrick, G.M.; Jones, P.G. Structure of an Oxonium Antimony(III) Sulphate, (H3 O)2 Sb2 (S O4)4 Acta Crystallographica C (39,1983-) 39 (1983) 145-148 Space group: P b c 21 Cell volume: 1360.41 Cell parameters: 11.085; 13.76; 8.919; 90; 90; 90;

COD ID: 2100404

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: P b c 21
Cell volume: 6884
Cell parameters: 21.417; 21.649; 14.848; 90; 90; 90;

COD ID: 2100405

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: P b c 21
Cell volume: 6839
Cell parameters: 21.358; 21.651; 14.79; 90; 90; 90;

COD ID: 2100406

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: P b c 21
Cell volume: 6888
Cell parameters: 21.386; 21.732; 14.82; 90; 90; 90;

COD ID: 2100999
CIF file Original IUCr paper	Formula: - C12 H24 S4 - Comments: Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M. Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane) Acta Crystallographica Section B 49(4) (1993) 773-779 Space group: P b c 21 Cell volume: 1577.6 Cell parameters: 17.7366; 9.8219; 9.0558; 90; 90; 90;

COD ID: 2102062
CIF file Original IUCr paper	Formula: - C8 H4 Na2 O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: P b c 21 Cell volume: 728.92 Cell parameters: 3.54807; 10.81599; 18.9943; 90; 90; 90;

COD ID: 2102063
CIF file Original IUCr paper	Formula: - C8 H16 N2 O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: P b c 21 Cell volume: 955.17 Cell parameters: 4.0053; 11.814; 20.186; 90; 90; 90;

COD ID: 2104809

Formula: - C10 H26 Ni O15 S2 -
Comments: Siegler, Maxime A.; Stavitski, Eli On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K Acta Crystallographica Section B 66(4) (2010) 430-440
Space group: P b c 21
Cell volume: 1957.9
Cell parameters: 17.7219; 7.5069; 14.717; 90; 90; 90;

COD ID: 2206004

Formula: - C11 H14 Cl N -
Comments: Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald Pargyline hydrochloride, a monoamine oxidase inhibitor: an orthorhombic form Acta Crystallographica Section E 61(6) (2005) o1598-o1600
Space group: P b c 21
Cell volume: 2209.6
Cell parameters: 5.958; 11.039; 33.596; 90; 90; 90;

COD ID: 2206171

Formula: - C22 H19 N O2 S -
Comments: Mahendra, M; Jayalakshmi, K.; Basappa; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J. 2-(Biphenyl-4-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one Acta Crystallographica Section E 61(7) (2005) o2315-o2317
Space group: P b c 21
Cell volume: 1853.2
Cell parameters: 6.287; 13.248; 22.25; 90; 90; 90;

COD ID: 2210394

Formula: - C16 H23 N5 O4 -
Comments: Meng, Xiang-Gao; Mei, Fu-Sheng; Liao, Zhan-Ru Bis(benzimidazol-2-ylmethyl)amine tetrahydrate Acta Crystallographica Section E 62(9) (2006) o4120-o4122
Space group: P b c 21
Cell volume: 3609.5
Cell parameters: 4.7111; 24.857; 30.823; 90; 90; 90;

COD ID: 2223452

Formula: - C11 H16 Ag N7 O3 -
Comments: Yang, Hua (2-Amino-4,6-dimethylpyrimidine-κN^1^)(2-amino-4-methylpyrimidine-κN^1^)silver(I) nitrate Acta Crystallographica Section E 65(10) (2009) m1177
Space group: P b c 21
Cell volume: 2926.6
Cell parameters: 7.5689; 19.1582; 20.1826; 90; 90; 90;

COD ID: 2238250

Formula: - C13 H13 N O -
Comments: Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P. Bruceolline D: 3,3-dimethyl-1H,4H-cyclopenta[b]indol-2(3H)-one Acta Crystallographica Section E 69(7) (2013) o1043
Space group: P b c 21
Cell volume: 4304.26
Cell parameters: 10.1341; 21.9219; 19.3747; 90; 90; 90;

COD ID: 2240392

Formula: - C4 H8 Hg N6 S4 -
Comments: Baskaran, A.; Rajarajan, K.; NizamMohideen, M.; Sagayaraj, P. Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) Acta Crystallographica Section E 71(2) (2015) m28-m29
Space group: P b c 21
Cell volume: 1215.07
Cell parameters: 8.5359; 9.0337; 15.7575; 90; 90; 90;

COD ID: 4026311

Formula: - C18 H20 O4 -
Comments: Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes Journal of Organic Chemistry 76 (2011) 4027-4033
Space group: P b c 21
Cell volume: 1513
Cell parameters: 7.6466; 11.7186; 16.8849; 90; 90; 90;

COD ID: 4027190
CIF file	Formula: - C20 H20 O - Comments: Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić Sterically Congested Adamantylnaphthalene Quinone Methides Journal of Organic Chemistry 77 (2012) 4596-4610 Space group: P b c 21 Cell volume: 1503.32 Cell parameters: 9.6033; 13.7896; 11.3522; 90; 90; 90;

COD ID: 4029783

Formula: - C25 H33 B F3 N -
Comments: Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P. CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃. Beilstein journal of organic chemistry 6 (2010) 709-712
Space group: P b c 21
Cell volume: 2273.1
Cell parameters: 8.3106; 16.12; 16.9678; 90; 90; 90;

COD ID: 4031232
CIF file	Formula: - H2 O7 S Sn3 - Comments: Davies, C.G.; Donaldson, J.D.; Laughlin, D.R.; Beddoes, R.; Howie, R.A. Crystal structure of tritin(II) dihydroxide oxide sulphate Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1975 (1975) 2241-2244 Space group: P b c 21 Cell volume: 799.001 Cell parameters: 4.983; 13.128; 12.214; 90; 90; 90;

COD ID: 4064322
CIF file	Formula: - C56 H59 Au Cl4 F6 N2 P2 - Comments: de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes Organometallics 30(8) (2011) 2241 Space group: P b c 21 Cell volume: 5591.64 Cell parameters: 9.2634; 22.7035; 26.5874; 90; 90; 90;

COD ID: 4081258
CIF file	Formula: - C42 H38 F12 O P4 - Comments: Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M. η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum Organometallics 32(17) (2013) 4766 Space group: P b c 21 Cell volume: 4176.39 Cell parameters: 10.8056; 15.837; 24.405; 90; 90; 90;

COD ID: 4083706
CIF file	Formula: - C37 H62 B Ca N3 O - Comments: Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides Organometallics 33(20) (2014) 5716 Space group: P b c 21 Cell volume: 3793.3 Cell parameters: 13.0933; 16.262; 17.8153; 90; 90; 90;

COD ID: 4083741

Formula: - C47 H62 B Cl2 Cu F4 N4 -
Comments: Collins, Lee R.; Rookes, Thomas M.; Mahon, Mary F.; Riddlestone, Ian M.; Whittlesey, Michael K. Use of Ring-Expanded Diamino- and Diamidocarbene Ligands in Copper Catalyzed Azide‒Alkyne “Click” Reactions Organometallics 33(20) (2014) 5882
Space group: P b c 21
Cell volume: 4572.2
Cell parameters: 12.145; 17.81; 21.138; 90; 90; 90;

COD ID: 4086503
CIF file	Formula: - C100 H140 N4 O4 Ti4 - Comments: Nguyen, Trang T.; Kortman, Gregory D.; Hull, Kami L. Synthesis, Cycloaddition, and Cycloreversion Reactions of Mononuclear Titanocene‒oxo Complexes Organometallics 35(11) (2016) 1713 Space group: P b c 21 Cell volume: 4399.62 Cell parameters: 15.1911; 16.9206; 17.1163; 90; 90; 90;

COD ID: 4100139
CIF file	Formula: - C10 H29 Cl2 I3 Mo P3 - Comments: Journal of the American Chemical Society (2005) Space group: P b c 21 Cell volume: 2464.7 Cell parameters: 9.2861; 18.0913; 14.6712; 90; 90; 90;

COD ID: 4101339
CIF file	Formula: - C28 H30 F12 I2 N2 O3 U - Comments: Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey Synthesis and reactivity of the imido analogues of the uranyl ion. Journal of the American Chemical Society 128(32) (2006) 10549-10559 Space group: P b c 21 Cell volume: 6899 Cell parameters: 9.1025; 17.4883; 43.339; 90; 90; 90;

COD ID: 4114215
CIF file	Formula: - C12 H24 I N3 - Comments: Thomas W. Bell; Heung-Jin Choi; William Harte; Michael G. B. Drew Syntheses, Conformations, and Basicities of Bicyclic Triamines Journal of the American Chemical Society 125 (2003) 12196-12210 Space group: P b c 21 Cell volume: 2217 Cell parameters: 13.867; 13.898; 11.504; 90; 90; 90;

COD ID: 4114910
CIF file	Formula: - H3.2 K2 O18.6 Si6 V2 - Comments: Xiqu Wang; Lumei Liu; Allan J. Jacobson Open-Framework and Microporous Vanadium Silicates Journal of the American Chemical Society 124 (2002) 7812-7820 Space group: P b c 21 Cell volume: 1683.9 Cell parameters: 15.4936; 8.2673; 13.1465; 90; 90; 90;

COD ID: 4120309

Formula: - C55 H86 Cl Ir K N O6 P2 -
Comments: Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand Journal of the American Chemical Society 135 (2013) 11791-11794
Space group: P b c 21
Cell volume: 5912.9
Cell parameters: 12.8544; 19.329; 23.798; 90; 90; 90;

COD ID: 4124706
CIF file	Formula: - H18 K4 O15 Xe - Comments: Zalkin, A.; Forrester, J.D.; Williamson, S.M.; Templeton, D.H.; Koch, C.W. Potassium perxenate nonahydrate Journal of the American Chemical Society 86 (1964) 3569-3571 Space group: P b c 21 Cell volume: 1542.67 Cell parameters: 9.049; 10.924; 15.606; 90; 90; 90;

COD ID: 4130583

Formula: - C6 H26 I8 N2 O2 Pb3 S2 -
Comments: Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films. Journal of the American Chemical Society 138(31) (2016) 9919-9926
Space group: P b c 21
Cell volume: 3376.2
Cell parameters: 4.6212; 27.219; 26.841; 90; 90; 90;

COD ID: 4316282

Formula: - C88 H64 N12 O4 Zn -
Comments: Hijazi, Ismail; Roisnel, Thierry; Even-Hernandez, Pascale; Geneste, Florence; Cador, Olivier; Guizouarn, Thierry; Boitrel, Bernard Structural Characterization of Zinc and Iron (II/III) Complexes of a Porphyrin Bearing Two Built-in Nitrogen Bases. An Example of High-Spin Diaqua-Iron(III) Bromo Complex Inorganic Chemistry 49(16) (2010) 7536-7544
Space group: P b c 21
Cell volume: 16232
Cell parameters: 19.704; 23.194; 35.517; 90; 90; 90;

COD ID: 4325567
CIF file	Formula: - C27 H72 Ge2 N4 O3 Ru Si8 - Comments: Javier A. Cabeza; Pablo García-Álvarez; Diego Polo Reactivity of Diaminogermylenes with Ruthenium Carbonyl: Ru3Ge3 and RuGe2 Derivatives Inorganic Chemistry 50 (2011) 6195-6199 Space group: P b c 21 Cell volume: 9973.47 Cell parameters: 14.7846; 21.2709; 31.714; 90; 90; 90;

COD ID: 4328483

Formula: - C13 H6 F4 N2 -
Comments: Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond Inorganic Chemistry 51 (2012) 2893-2901
Space group: P b c 21
Cell volume: 2156.1
Cell parameters: 7.048; 14.081; 21.725; 90; 90; 90;

COD ID: 4331257
CIF file	Formula: - C22 H8 F4 N2 - Comments: Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline Inorganic Chemistry 51 (2012) 13081-13095 Space group: P b c 21 Cell volume: 1761 Cell parameters: 6.067; 11.96; 24.27; 90; 90; 90;

COD ID: 4331581
CIF file	Formula: - C31.5 H49 Cl N4 O Si2 W - Comments: Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C. Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex Inorganic Chemistry 44(25) (2005) 9506-9517 Space group: P b c 21 Cell volume: 7014.7 Cell parameters: 9.3024; 23.5665; 31.9975; 90; 90; 90;

COD ID: 4336981

Formula: - C27 H29 Co N6 -
Comments: Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes Inorganic Chemistry 52 (2013) 14040-14049
Space group: P b c 21
Cell volume: 5063.7
Cell parameters: 8.02; 16.8828; 37.398; 90; 90; 90;

COD ID: 4341303

Formula: - C8 H20 Cl2 Cu N16 O12 -
Comments: Evers, Jürgen; Gospodinov, Ivan; Joas, Manuel; Klapötke, Thomas M; Stierstorfer, Jörg Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane. Inorganic chemistry 53(21) (2014) 11749-11756
Space group: P b c 21
Cell volume: 2355.32
Cell parameters: 6.7273; 21.9914; 15.9205; 90; 90; 90;

COD ID: 4500619

Formula: - C19 H25 N O3 -
Comments: Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine Crystal Growth & Design 11(5) (2011) 1821
Space group: P b c 21
Cell volume: 1709.55
Cell parameters: 8.0447; 10.4716; 20.2936; 90; 90; 90;

COD ID: 4500998

Formula: - As6 Ba4 O25 U2 -
Comments: Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8] Crystal Growth & Design 11(7) (2011) 3295
Space group: P b c 21
Cell volume: 2373.1
Cell parameters: 5.601; 13.344; 31.751; 90; 90; 90;

COD ID: 4501120

Formula: - C6 H15 Br2 N2 O0.5 -
Comments: Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate Crystal Growth & Design 11(11) (2011) 4892
Space group: P b c 21
Cell volume: 2026.2
Cell parameters: 14.3848; 12.4619; 11.3029; 90; 90; 90;

COD ID: 4501121
CIF file	Formula: - C6 H16 Br2 N2 O - Comments: Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate Crystal Growth & Design 11(11) (2011) 4892 Space group: P b c 21 Cell volume: 2106.6 Cell parameters: 15.015; 12.486; 11.2364; 90; 90; 90;

COD ID: 4503914
CIF file	Formula: - C13 H11 N O - Comments: Arod, Frédéric; Pattison, Philip; Schenk, Kurt J.; Chapuis, Gervais Polymorphism inN-Salicylideneaniline Reconsidered Crystal Growth & Design 7(9) (2007) 1679 Space group: P b c 21 Cell volume: 1027.07 Cell parameters: 5.7941; 13.0175; 13.6171; 90; 90; 90;

COD ID: 4507808

Formula: - C14 H22 N2 O8 -
Comments: Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons Crystal Growth & Design 13(6) (2013) 2373
Space group: P b c 21
Cell volume: 4654.4
Cell parameters: 17.2025; 9.7993; 27.6106; 90; 90; 90;

COD ID: 6000477

Formula: - C3 H8 Fe O7 P -
Comments: Riou-Cavellec, M.; Sanselme, M.; Greneche, J. M.; Ferey, G. Hydrothermal synthesis, structural approach, magnetic and Mossbauer study of the layered Fe(III) carboxyethylphosphonate [Fe(OH)(H2O)(O3P-(CH2)(2)-CO2H)] or MIL-37 Solid State Sciences 2 (2000) 717-724
Space group: P b c 21
Cell volume: 1454.79
Cell parameters: 7.4364; 9.5646; 20.4537; 90; 90; 90;

COD ID: 7012060

Formula: - C60 H78 B2 Mo N2 O2 -
Comments: Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B. Transition-metal imido-boroxide complexes: a structural and spectroscopic investigation of the influence of boron Journal of the Chemical Society, Dalton Transactions (issue 22) (2002) 4168
Space group: P b c 21
Cell volume: 11232.3
Cell parameters: 13.2134; 19.0999; 44.5065; 90; 90; 90;

COD ID: 7013421

Formula: - C6 H18 Cl3 N3 O Pd -
Comments: Seeber, Georg; Long, De-Liang; Kariuki, Benson M.; Cronin, Leroy Palladium(ii)-based cis,trans-1,3,5-triaminocyclohexane complexes demonstrating a variety of coordination modes and architecturesElectronic supplementary information (ESI) available: A detailed description of the coordinative flexibility of trans-tach. Fig. S1: Diagram defining interplanar angle ? and torsion angle ?. Table S1: interplanar angles ? and torsion angles ? for complexes 1?7. See http://www.rsc.org/suppdata/dt/b3/b307616d/ Dalton Transactions (issue 23) (2003) 4498
Space group: P b c 21
Cell volume: 1263.89
Cell parameters: 12.4445; 12.2051; 8.3213; 90; 90; 90;

COD ID: 7017376

Formula: - C27 H32 N8 O2 S2 -
Comments: Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin; Rissanen, Kari; Sobolev, Alexandre N.; Lehn, Jean-Marie Structural and metallo selectivity in the assembly of [2 ×2] grid-type metallosupramolecular species: Mechanisms and kinetic control. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12320-12332
Space group: P b c 21
Cell volume: 5791.9
Cell parameters: 9.5705; 18.6451; 32.4579; 90; 90; 90;

COD ID: 7017491

Formula: - C17 H23 Cl3 Cu N2 O4 S2 -
Comments: Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes. Dalton transactions (Cambridge, England : 2003) 41(2) (2012) 424-431
Space group: P b c 21
Cell volume: 4787.5
Cell parameters: 17.575; 17.691; 15.398; 90; 90; 90;

COD ID: 7031397

Formula: - C36 H56 N10 Na2 O2 -
Comments: Armstrong, David R.; Brouillet, Etienne V.; Kennedy, Alan R.; Garden, Jennifer A.; Granitzka, Markus; Mulvey, Robert E.; Trivett, Joshua J. Donor-activated alkali metal dipyridylamides: co-complexation reactions with zinc alkyls and reactivity studies with benzophenone. Dalton transactions (Cambridge, England : 2003) 43(38) (2014) 14409-14423
Space group: P b c 21
Cell volume: 3913.8
Cell parameters: 15.8743; 12.4146; 19.8597; 90; 90; 90;

COD ID: 7050470
CIF file	Formula: - C24 H18 Ag4 Cl4 N18 O16 - Comments: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine New Journal of Chemistry 27(3) (2003) 483 Space group: P b c 21 Cell volume: 4058.2 Cell parameters: 7.788; 14.259; 36.544; 90; 90; 90;

COD ID: 7051026

Formula: - C26 H30 N2 O -
Comments: José Barluenga; Miguel Tomás; Alfredo Ballesteros; Javier Santamaría; Raúl Corzo-Suárez; Santiago García-Granda Reaction of Fischer alkynylcarbene complexes with 1-azadiene derivatives: unexpected formation of 3,4-dihydropyridines New J. Chem. 25(1) (2001) 8-10
Space group: P b c 21
Cell volume: 4484.4
Cell parameters: 6.632; 19.859; 34.049; 90; 90; 90;

COD ID: 7052668
CIF file	Formula: - C32 H48 Cd2 N8 S4 - Comments: Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers New Journal of Chemistry 35(6) (2011) 1265 Space group: P b c 21 Cell volume: 3846.4 Cell parameters: 9.1429; 19.388; 21.699; 90; 90; 90;

COD ID: 7054809

Formula: - C68 H120 N2 Si4 U2 -
Comments: Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands New J. Chem. 39(10) (2015) 7602
Space group: P b c 21
Cell volume: 7130.77
Cell parameters: 12.5424; 22.7691; 24.9695; 90; 90; 90;

COD ID: 7101298

Formula: - C26 H54 Cu7 K N20 O6 S8 -
Comments: El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè A new 2D network built from potassium sandwiches {K[CuII3(bdap)3]2} and {(μ1,3-SCN)3CuI(NCS)} anions: structure and magnetic behaviour Chemical Communications (Cambridge, United Kingdom) (issue 29) (2006) 3113-3115
Space group: P b c 21
Cell volume: 5169.3
Cell parameters: 10.531; 21.44; 22.895; 90; 90; 90;

COD ID: 7107867
CIF file	Formula: - C40 H40 N6 O10 - Comments: Ting Qi; Victor Maurizot; Hiroki Noguchi; Thiraporn Charoenraks; Brice Kauffmann; Makoto Takafuji; Hirotaka Ihara; Ivan Huc Solvent dependence of helix stability in aromatic oligoamide foldamers Chem.Commun. 48 (2012) 6337 Space group: P b c 21 Cell volume: 7119 Cell parameters: 7.3608; 24.153; 40.044; 90; 90; 90;

COD ID: 7110303
CIF file	Formula: - C48 H108 O20 P4 Tc4 Th - Comments: Sarsfield, Mark J.; Sutton, Andrew D.; May, Iain; John, Gordon H.; Sharrad, Clint; Helliwell, Madeleine Coordination of pertechnetate [TcO4]? to actinides Chemical Communications (issue 20) (2004) 2320-2321 Space group: P b c 21 Cell volume: 6888 Cell parameters: 21.386; 21.732; 14.82; 90; 90; 90;

COD ID: 7110747

Formula: - C19 H13 N O10 Ru3 S -
Comments: Ali, Shahbano; Deeming, Antony J.; Hogarth, Graeme; Mehta, Nikesh A.; Steed, Jonathan W. Reductive coupling of alkynes to give ruthenium and osmium clusters of the type [M3(1,3-diene)(μ3-X)(CO)8] containing μ-η2,η2- or η4-1,3-diene Chemical Communications (issue 24) (1999) 2541
Space group: P b c 21
Cell volume: 2258.98
Cell parameters: 10.372; 13.5883; 16.0282; 90; 90; 90;

COD ID: 7119502

Formula: - C15 H18 N2 O4 -
Comments: Sawant, Rajiv T.; Stevens, Marc Y.; Odell, Luke R. Acetic acid-promoted cascade N-acyliminium ion/aza-Prins cyclization: stereoselective synthesis of functionalized fused tricyclic piperidines. Chemical communications (Cambridge, England) 53(13) (2017) 2110-2113
Space group: P b c 21
Cell volume: 2936.16
Cell parameters: 9.2808; 13.3894; 23.6283; 90; 90; 90;

COD ID: 7151917

Formula: - C11 H10 Cl N3 O2 -
Comments: Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes. Organic & biomolecular chemistry 9(11) (2011) 4295-4305
Space group: P b c 21
Cell volume: 2264.85
Cell parameters: 3.8164; 12.722; 46.6476; 90; 90; 90;

COD ID: 7153630

Formula: - C12 H6 Cl I2 N3 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P b c 21
Cell volume: 1355.5
Cell parameters: 4.0838; 14.2493; 23.294; 90; 90; 90;

COD ID: 7153635

Formula: - C10 H5 I2 N3 S -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P b c 21
Cell volume: 2401.77
Cell parameters: 4.104; 22.5488; 25.9538; 90; 90; 90;

COD ID: 7159081
CIF file	Formula: - C12 H12 N2 O - Comments: Liu, Wen; Wang, Liang; Mu, Haiping; Zhang, Qian; Fang, Zeguo; Li, Dong Synthesis of cyano-substituted γ-lactams through a copper-catalyzed cascade cyclization/cyanation reaction. Organic & biomolecular chemistry (2023) Space group: P b c 21 Cell volume: 2158.48 Cell parameters: 6.03944; 12.8249; 27.8674; 90; 90; 90;

COD ID: 7204653
CIF file	Formula: - C15 H12 O3 - Comments: Kazuhiro Yoshizawa; Shinji Toyota; Fumio Toda; Ingeborg Csöregh Preparative and mechanistic studies of solvent-free Rap‒Stoermer reactions Green Chem. 5(3) (2003) 353-356 Space group: P b c 21 Cell volume: 1192.1 Cell parameters: 5.912; 8.043; 25.07; 90; 90; 90;

COD ID: 7219679
CIF file	Formula: - C16 H13 N O2 - Comments: Colaço, Melwin; Dubois, Jean; Wouters, Johan Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products CrystEngComm 17(12) (2015) 2523 Space group: P b c 21 Cell volume: 1370.9 Cell parameters: 9.837; 16.124; 8.643; 90; 90; 90;

COD ID: 7219754
CIF file	Formula: - C15 H13 N3 O4 S - Comments: Upadhyay, Pratik P.; Bond, Andrew D. Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam CrystEngComm 17(28) (2015) 5266 Space group: P b c 21 Cell volume: 1433.5 Cell parameters: 17.3964; 11.7965; 6.9851; 90; 90; 90;

COD ID: 7222070
CIF file	Formula: - C15 H20 N2 O2 - Comments: Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R. Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol CrystEngComm 17(41) (2015) 7866 Space group: P b c 21 Cell volume: 1424.4 Cell parameters: 9.0198; 10.7769; 14.653; 90; 90; 90;

COD ID: 7227822

Formula: - C32 Cl8 Cs4 N8 O9 -
Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ) CrystEngComm 19(13) (2017) 1801
Space group: P b c 21
Cell volume: 4179.69
Cell parameters: 13.2615; 18.7662; 16.7948; 90; 90; 90;

COD ID: 7233865

Formula: - C20 H24 F4 N6 O -
Comments: Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts Journal of Materials Chemistry C 2 (2014) 8285-8294
Space group: P b c 21
Cell volume: 2086.37
Cell parameters: 13.945; 7.63438; 19.5974; 90; 90; 90;

COD ID: 7234804