Search results

Formula: - C34 H41.5 Cl2 Cu3 N9 O12.25 -
Comments: Barea, Elisa; Quiros, Miguel; Navarro, Jorge A. R.; Salas, Juan M. Heteroleptic pyrimidine-2-olate and 4,4[prime or minute]-bipyridine copper(II) layered metal-organic frameworks with swelling properties. Dalton transactions (Cambridge, England : 2003) (issue 9) (2005) 1743-1746
Space group: P n n 2
Cell volume: 4452.3
Cell parameters: 17.076; 19.341; 13.481; 90; 90; 90;

COD ID: 1509425
CIF file	Formula: - Ag K2 S4 Sb - Comments: Schimek, G.L.; Wood, P.T.; Pennington, W.T.; Kolis, J.W. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb) Journal of Solid State Chemistry 123 (1996) 277-284 Space group: P n n 2 Cell volume: 865.174 Cell parameters: 10.348; 10.522; 7.946; 90; 90; 90;

COD ID: 1509761
CIF file	Formula: - Ag2 Bi O3 - Comments: Oberndorfer, C.P.M.; Dinnebier, R.E.; Ibberson, R.M.; Jansen, M. Charge ordering in Ag2 Bi O3 Solid State Sciences 8 (2006) 267-276 Space group: P n n 2 Cell volume: 362.324 Cell parameters: 5.983; 6.3239; 9.5762; 90; 90; 90;

COD ID: 1511529
CIF file	Formula: - B5 Br Ca2 O9 - Comments: Fouassier, C.; Lloyd, D.J.; Levasseur, A. Structure cristalline du bromoborate Ca2 B5 O9 Br Journal of Solid State Chemistry 6 (1973) 179-186 Space group: P n n 2 Cell volume: 807.223 Cell parameters: 11.397; 11.255; 6.293; 90; 90; 90;

COD ID: 1511531
CIF file	Formula: - B5 Cl Eu2 O9 - Comments: Shiokawa, J.; Moriwaki, Y.; Adachi, G.Y.; Machida, K.I. The crystal structure and luminescence properties of europium(II) haloborates Bulletin of the Chemical Society of Japan 54 (1981) 1048-1051 Space group: P n n 2 Cell volume: 835.273 Cell parameters: 11.364; 11.301; 6.504; 90; 90; 90;

COD ID: 1519874
CIF file	Formula: - C10 H11 N3 O - Comments: Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J. [2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol Crystal Structure Report Archive (2007) 282 Space group: P n n 2 Cell volume: 905.47 Cell parameters: 12.7013; 16.5159; 4.3164; 90; 90; 90;

COD ID: 1520994
CIF file	Formula: - B5 Ba2 Cl H O9.5 - Comments: Ferro, O.; Pushcharovskii, D.Yu.; Merlino, S.; Vinogradova, S.A.; Dimitrova, O.V. Crystal structures of two new Ba borates pentaborate, Ba2 (B5 O9) Cl . 0.5(H2 O) and Ba2 (B5 O8 (O H)2) (O H) Journal of Alloys Compd. 305 (2000) 63-71 Space group: P n n 2 Cell volume: 908.527 Cell parameters: 11.716; 11.574; 6.7; 90; 90; 90;

COD ID: 1521207
CIF file	Formula: - Al O4 P - Comments: Ikeda, T.; Izumi, F.; Miyazawa, K.; Santoro, A.; Huang, Q. Structural study of the aluminophosphate (Al P O4)-5 by neutron powder diffraction Journal of Physics and Chemistry of Solids 60 (1999) 1531-1535 Space group: P n n 2 Cell volume: 2750.85 Cell parameters: 13.7711; 23.846; 8.3769; 90; 90; 90;

COD ID: 1525664

Formula: - B5 Cl H0.5 Na0.5 O9.5 Pb2 -
Comments: Belokoneva, E.L.; Stefanovich, S.Yu.; Dimitrova, O.V.; Korchemkina, T.A. Na0.5 Pb2 (B5 O9) Cl (O H)0.5, a new polar modification of hilgardite containing Na cations in the cavities of the framework. The OD-family of the 5:(2Delta+3*(box)) pentaborates:hilgardites, heidornite, probertite and ulexite Kristallografiya 45 (2000) 814-823
Space group: P n n 2
Cell volume: 864.934
Cell parameters: 11.51; 11.45; 6.563; 90; 90; 90;

COD ID: 1528298
CIF file	Formula: - B5 H2.5 Na0.5 O11 Pb2 - Comments: Al'-Ama, A.G.; Dimitrova, O.V.; Belokoneva, E.L.; Stefanovich, S.Yu.; Mochenova, N.N. A new nonlinear optical borate, Na0.5 Pb2 [B5 O9] (O H)1.5 . 0.5H2 O, from the orthorhombic hilgardite family Kristallografiya 51 (2006) 429-433 Space group: P n n 2 Cell volume: 850.833 Cell parameters: 11.426; 11.328; 6.5735; 90; 90; 90;

COD ID: 1530779
CIF file	Formula: - Eu Li O8 S2 - Comments: Sirotinkin, S.P.; Efremov, V.A.; Kovba, L.M.; Pokrovskii, A.N. Crystal structure of lithium-europium double sulfate Kristallografiya 22 (1977) 966-970 Space group: P n n 2 Cell volume: 324.205 Cell parameters: 7.632; 7.632; 5.566; 90; 90; 90;

COD ID: 1534247
CIF file	Formula: - B5 Br O9 Pb2 - Comments: Belokoneva, E.L.; Dimitrova, O.V.; Kabalov, Yu.K.; Stefanovich, S.Yu. New hilgardite-group polyborate Pb2 [B5 O9] Br with a high optical nonlinearity Kristallografiya 48 (2003) 49-53 Space group: P n n 2 Cell volume: 861.507 Cell parameters: 11.524; 11.431; 6.5399; 90; 90; 90;

COD ID: 1535640
CIF file	Formula: - Al2 Br8 Ti - Comments: Troyanov, S.I.; Rybakov, V.B.; Ionov, V.M. Synthesis and crystal structures of TiBr4,TiBr3 and Ti(AlBr4)2 Zhurnal Neorganicheskoi Khimii 35 (1990) 882-887 Space group: P n n 2 Cell volume: 696.8 Cell parameters: 6.274; 12.801; 8.676; 90; 90; 90;

COD ID: 1536039
CIF file	Formula: - Li2 O6 Sn Te - Comments: Choisnet, J.; Rulmont, A.; Tarte, P. Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6 Journal of Solid State Chemistry 82 (1989) 272-278 Space group: P n n 2 Cell volume: 217.771 Cell parameters: 5.192; 4.927; 8.513; 90; 90; 90;

COD ID: 1536678

Formula: - As F5 H6 N2 -
Comments: Klampfer, P.; Ponikvar, M.; Benkic, P.; Rahten, A.; Lesar, A.; Jesih, A. Synthesis, crystal structure and Raman spectrum of hydrazinium(+2) fluoroarsenate(III) fluoride, N2 H6 As F4 F Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 134 (2003) 1-9
Space group: P n n 2
Cell volume: 550.553
Cell parameters: 7.74; 16.292; 4.366; 90; 90; 90;

COD ID: 1549519
CIF file	Formula: - H4 O10 Si2 Zn4 - Comments: Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature Physics and Chemistry of Minerals 38 (2011) 679-684 Space group: P n n 2 Cell volume: 435.92 Cell parameters: 8.1407; 10.6127; 5.04567; 90; 90; 90;

COD ID: 1549522
CIF file	Formula: - H4 O10 Si2 Zn4 - Comments: Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature Physics and Chemistry of Minerals 38 (2011) 679-684 Space group: P n n 2 Cell volume: 427.9 Cell parameters: 8.0863; 10.5218; 5.02927; 90; 90; 90;

COD ID: 1549523
CIF file	Formula: - H4 O10 Si2 Zn4 - Comments: Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature Physics and Chemistry of Minerals 38 (2011) 679-684 Space group: P n n 2 Cell volume: 430.47 Cell parameters: 8.1034; 10.5561; 5.0324; 90; 90; 90;

COD ID: 1550267

Formula: - C11 H16 Br2 Cu2 N4 -
Comments: Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing Copper(i)-polymers and their photoluminescence thermochromism properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 18(2) (2019) 477-486
Space group: P n n 2
Cell volume: 1601.6
Cell parameters: 17.5605; 9.4899; 9.611; 90; 90; 90;

COD ID: 1550270

Formula: - C11 H16 Br2 Cu2 N4 -
Comments: Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing Copper(i)-polymers and their photoluminescence thermochromism properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 18(2) (2019) 477-486
Space group: P n n 2
Cell volume: 1616.24
Cell parameters: 17.6696; 9.5533; 9.5747; 90; 90; 90;

COD ID: 1553042
CIF file	Formula: - C92 H98 N8 - Comments: Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko Chiroptical sensing of oligonucleotides with a cyclic octapyrrole Organic Chemistry Frontiers 2(1) (2015) 29 Space group: P n n 2 Cell volume: 3899.8 Cell parameters: 15.865; 16.43; 14.961; 90; 90; 90;

COD ID: 1557148

Formula: - C11 H24 Cu I2 N4 -
Comments: Springborg, Johan; Sotofte, Inger Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia Acta Chemica Scandinavica 51 (1997) 357-366
Space group: P n n 2
Cell volume: 1684.5
Cell parameters: 13.678; 13.359; 9.219; 90; 90; 90;

COD ID: 1557978
CIF file	Formula: - D4 Mg10 O18 Si3 - Comments: Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J. The determination of hydrogen positions in superhydrous phase B American Mineralogist 98 (2013) 1688-1692 Space group: P n n 2 Cell volume: 619.45 Cell parameters: 13.9696; 5.09285; 8.70686; 90; 90; 90;

COD ID: 1557979
CIF file	Formula: - D4 Mg10 O18 Si3 - Comments: Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J. The determination of hydrogen positions in superhydrous phase B American Mineralogist 98 (2013) 1688-1692 Space group: P n n 2 Cell volume: 621.825 Cell parameters: 13.9882; 5.10006; 8.71628; 90; 90; 90;

COD ID: 1566344
CIF file	Formula: - H4 O10 Si2 Zn4 - Comments: Okamoto, K.; Kuribayashi, T.; Nagase, T. Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.01 GPa Journal of Mineralogical and Petrological Sciences 116 (2021) 251-262 Space group: P n n 2 Cell volume: 438.2 Cell parameters: 8.1577; 10.642; 5.0473; 90; 90; 90;

COD ID: 1566345
CIF file	Formula: - H4 O10 Si2 Zn4 - Comments: Okamoto, K.; Kuribayashi, T.; Nagase, T. Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.72 GPa Journal of Mineralogical and Petrological Sciences 116 (2021) 251-262 Space group: P n n 2 Cell volume: 429.63 Cell parameters: 8.0987; 10.549; 5.0288; 90; 90; 90;

COD ID: 2000800
CIF file Original IUCr paper	Formula: - C14 H11 Fe N2 O10 - Comments: Cousson, A.; Nectoux, F.; Rizkalla, E. N. Structure of bis(dipicolinato)ferrate(III) dihydrate Acta Crystallographica Section C 48(7) (1992) 1354-1357 Space group: P n n 2 Cell volume: 1591.2 Cell parameters: 8.86; 11.007; 16.316; 90; 90; 90;

COD ID: 2003642
CIF file Original IUCr paper	Formula: - Nb5 O17 Sr5 - Comments: Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G. A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~ Acta Crystallographica Section C 51(7) (1995) 1243-1246 Space group: P n n 2 Cell volume: 735.7 Cell parameters: 32.456; 5.674; 3.995; 90; 90; 90;

COD ID: 2013836

Formula: - C18 H16 N2 O5 Pd -
Comments: Muranishi, Yasunori; Okabe, Nobuo (2,2'-Bipyridine-κ^2^N,N')(1,1-cyclobutanedicarboxylato-κ^2^O,O')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')palladium(II) dihydrate Acta Crystallographica Section C 60(2) (2004) m47-m50
Space group: P n n 2
Cell volume: 1712.1
Cell parameters: 17.219; 18.875; 5.268; 90; 90; 90;

COD ID: 2108424

Formula: - C38 H37 Co I2 N9 O -
Comments: Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B 75(4) (2019)
Space group: P n n 2
Cell volume: 1936.8
Cell parameters: 11.355; 12.68; 13.4516; 90; 90; 90;

COD ID: 2108425

Formula: - C38 H37 Co N11 O7 -
Comments: Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B 75(4) (2019)
Space group: P n n 2
Cell volume: 1938.01
Cell parameters: 11.3655; 12.5153; 13.6247; 90; 90; 90;

COD ID: 2200460

Formula: - C15 H16 O4 -
Comments: Arrieta, Antonio F.; Arvid Mostad Ethyl 2-trans-cinnamoylacetoacetate Acta Crystallographica Section E 57(8) (2001) o669-o671
Space group: P n n 2
Cell volume: 1375.5
Cell parameters: 21.698; 7.339; 8.638; 90; 90; 90;

COD ID: 2204579
CIF file Original IUCr paper	Formula: - B5 Br O9 Pb2 - Comments: Yakubovich, Olga V.; Mochenova, Natalya N.; Dimitrova, Olga. V.; Massa, Werner Reinvestigation of the Pb~2~[B~5~O~9~]Br structure based on single-crystal data Acta Crystallographica, Section E 60(11) (2004) i127-i130 Space group: P n n 2 Cell volume: 860.9 Cell parameters: 11.4935; 11.4717; 6.5297; 90; 90; 90;

COD ID: 2213381

Formula: - C17 H18 N2 O4 -
Comments: Jin-Gui Duan; Chen-Ming Dong; Jun-Yan Shi; Lei Wu; Wen-Kui Dong 2,2'-[(Propane-1,3-diyldioxy)bis(nitrilomethylidyne)]diphenol Acta Crystallographica Section E 63(5) (2007) o2704-o2705
Space group: P n n 2
Cell volume: 808.4
Cell parameters: 6.285; 26.91; 4.78; 90; 90; 90;

COD ID: 2224008

Formula: - C2 H4 N6 O -
Comments: He, Chun-Lin; Du, Zhi-Ming; Tang, Zheng-Qiang; Cong, Xiao-Min; Meng, Ling-Qiao N-(5-Amino-1H-tetrazol-1-yl)formamide Acta Crystallographica Section E 65(11) (2009) o2901
Space group: P n n 2
Cell volume: 519
Cell parameters: 10.232; 12.054; 4.208; 90; 90; 90;

COD ID: 2232058

Formula: - C54 H45 Cl2 N P2 Sn -
Comments: De Lorentiis, Lucio; Graiff, Claudia; Predieri, Giovanni Bis(triphenylphosphanylidene)iminium dichloridotriphenylstannate(IV) Acta Crystallographica Section E 67(10) (2011) m1356
Space group: P n n 2
Cell volume: 2343.16
Cell parameters: 17.9119; 9.7744; 13.3835; 90; 90; 90;

COD ID: 2235695

Formula: - C11 H12 Cl I N4 -
Comments: Zaghary, Wafaa A.; Geffken, Detlef; Ng, Seik Weng 6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride Acta Crystallographica Section E 68(7) (2012) o2235
Space group: P n n 2
Cell volume: 1286.23
Cell parameters: 12.6323; 19.8608; 5.1267; 90; 90; 90;

COD ID: 2238511

Formula: - C38 H34 Co N8 O2 S2 -
Comments: Wöhlert, Susanne; Jess, Inke; Näther, Christian Poly[[bis[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N']bis(thiocyanato-κN)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate dihydrate] Acta Crystallographica Section E 69(9) (2013) m482
Space group: P n n 2
Cell volume: 7712.2
Cell parameters: 22.3698; 22.4296; 15.3707; 90; 90; 90;

COD ID: 4000760

Formula: - C86 H50 Cu9 N40 O22 -
Comments: Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks Chemistry of Materials 23(11) (2011) 2908
Space group: P n n 2
Cell volume: 7960
Cell parameters: 13.464; 29.985; 19.717; 90; 90; 90;

COD ID: 4003661

Formula: - C6 H21 Bi Cl6 F3 N3 -
Comments: Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6 Chemistry of Materials (2020)
Space group: P n n 2
Cell volume: 1964.9
Cell parameters: 11.962; 20.4349; 8.0383; 90; 90; 90;

COD ID: 4004010
CIF file	Formula: - C12 H10 Co N4 O4 - Comments: Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity Chemistry of Materials (2021) Space group: P n n 2 Cell volume: 886 Cell parameters: 12.2; 6.783; 10.707; 90; 90; 90;

COD ID: 4021427
CIF file	Formula: - C43 H53 O6 - Comments: Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation Journal of Organic Chemistry 71 (2006) 940-946 Space group: P n n 2 Cell volume: 3714.1 Cell parameters: 18.6014; 19.2511; 10.3718; 90; 90; 90;

COD ID: 4023491
CIF file	Formula: - C12 H20 N8 O4 - Comments: Marek Stancl; Marek Necas; Jan Taraba; Vladimir Sindelar Glycoluril Dimers Bearing Hydrogen Atoms on Their Convex Face and Their Self-Assembly in the Solid State Journal of Organic Chemistry 73 (2008) 4671-4675 Space group: P n n 2 Cell volume: 785.1 Cell parameters: 11.238; 16.985; 4.1132; 90; 90; 90;

COD ID: 4025329

Formula: - C18 H12 N4 -
Comments: Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines Journal of Organic Chemistry 75(7) (2010) 2302-2308
Space group: P n n 2
Cell volume: 1289.4
Cell parameters: 17.463; 18.85; 3.9169; 90; 90; 90;

COD ID: 4026876
CIF file	Formula: - C13 H18 N4 O6 - Comments: Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family Journal of Organic Chemistry 77 (2012) 606-611 Space group: P n n 2 Cell volume: 696.68 Cell parameters: 10.0897; 10.5987; 6.5148; 90; 90; 90;

COD ID: 4034229

Formula: - C34 H33.5 F3 N2 O3.25 S -
Comments: Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties. The Journal of organic chemistry 84(7) (2019) 4372-4380
Space group: P n n 2
Cell volume: 1480.19
Cell parameters: 6.9454; 19.9965; 10.6578; 90; 90; 90;

COD ID: 4071285

Formula: - C74 H94 Cl4 N4 O8 Pd3 -
Comments: Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R. From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis Organometallics 27(10) (2008) 2337
Space group: P n n 2
Cell volume: 4196
Cell parameters: 13.101; 29.389; 10.898; 90; 90; 90;

COD ID: 4072195

Formula: - C34 H58 Li2 N4 O2 -
Comments: Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R. Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate Organometallics 27(22) (2008) 5860
Space group: P n n 2
Cell volume: 1757.11
Cell parameters: 16.4657; 12.1496; 8.7833; 90; 90; 90;

COD ID: 4074984
CIF file	Formula: - C34 H58 N4 Na2 O2 - Comments: Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E. Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone† Organometallics 25(7) (2006) 1778 Space group: P n n 2 Cell volume: 1845.9 Cell parameters: 12.4277; 17.2432; 8.6138; 90; 90; 90;

COD ID: 4078782
CIF file	Formula: - C46 H54 As2 Zr - Comments: Elrod, L. Taylor; Boxwala, Hussain; Haq, Hira; Zhao, Annie W.; Waterman, Rory As‒As Bond Formation via Reductive Elimination from a Zirconocene Bis(dimesitylarsenide) Compound Organometallics 31(14) (2012) 5204 Space group: P n n 2 Cell volume: 4309 Cell parameters: 20.9687; 22.0733; 9.3097; 90; 90; 90;

COD ID: 4078981

Formula: - C16 H27 N5 O Ti -
Comments: Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions Organometallics 31(17) (2012) 6005
Space group: P n n 2
Cell volume: 1934.1
Cell parameters: 11.929; 15.792; 10.267; 90; 90; 90;

COD ID: 4079030

Formula: - C28 H66 Al2 O8 Si2 -
Comments: Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15 Organometallics 31(18) (2012) 6526
Space group: P n n 2
Cell volume: 1945.9
Cell parameters: 14.36; 14.585; 9.2908; 90; 90; 90;

COD ID: 4083033
CIF file	Formula: - C56 H57 Cl Ni P2 - Comments: Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F. A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes. Organometallics 33(8) (2014) 2012-2018 Space group: P n n 2 Cell volume: 4671.1 Cell parameters: 19.513; 13.4026; 17.861; 90; 90; 90;

COD ID: 4084270
CIF file	Formula: - C35 H37 Al N2 - Comments: Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R. Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand Organometallics 33(17) (2014) 4503 Space group: P n n 2 Cell volume: 1466.6 Cell parameters: 10.01; 11.767; 12.451; 90; 90; 90;

COD ID: 4087438
CIF file	Formula: - C28 H46 Fe3 S6 - Comments: Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes Organometallics 34(9) (2015) 1661 Space group: P n n 2 Cell volume: 1626.55 Cell parameters: 12.5309; 12.6212; 10.2845; 90; 90; 90;

COD ID: 4103070
CIF file	Formula: - B5 I O9 Pb2 - Comments: Yi-Zhi Huang; Li-Ming Wu; Xin-Tao Wu; Long-Hua Li; Ling Chen; Yong-Fan Zhang Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation Journal of the American Chemical Society 132 (2010) 12788-12789 Space group: P n n 2 Cell volume: 882.5 Cell parameters: 11.561; 11.7; 6.524; 90; 90; 90;

COD ID: 4103231

Formula: - C41 H34 Cl4 Cr2 Mn N12 -
Comments: Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences Journal of the American Chemical Society 132 (2010) 14261-14272
Space group: P n n 2
Cell volume: 2059.48
Cell parameters: 12.8741; 14.0942; 11.3501; 90; 90; 90;

COD ID: 4109152
CIF file	Formula: - C40 H60 O10 Os3 P2 Pt2 - Comments: Richard D. Adams; Burjor Captain; Lei Zhu Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster Complex Journal of the American Chemical Society 129 (2007) 2454-2455 Space group: P n n 2 Cell volume: 2379.98 Cell parameters: 12.8093; 20.1356; 9.2275; 90; 90; 90;

COD ID: 4110086
CIF file	Formula: - C41 H34 Cl4 Cr2 Fe N12 - Comments: Michael Nippe; John F. Berry Introducing a Metal-Metal Multiply Bonded Group as an "Axial Ligand" to Iron: Synthetic Design of a Linear Cr-Cr...Fe Framework Journal of the American Chemical Society 129 (2007) 12684-12685 Space group: P n n 2 Cell volume: 2059.48 Cell parameters: 12.8741; 14.0942; 11.3501; 90; 90; 90;

COD ID: 4112638

Formula: - C41 H34 Cl4 Cr3 N12 -
Comments: John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains Journal of the American Chemical Society 126 (2004) 7082-7096
Space group: P n n 2
Cell volume: 2081.9
Cell parameters: 12.9961; 14.1381; 11.3306; 90; 90; 90;

COD ID: 4112643

Formula: - C41 H34 Cl2 Cr3 I2 N12 -
Comments: John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains Journal of the American Chemical Society 126 (2004) 7082-7096
Space group: P n n 2
Cell volume: 2182.7
Cell parameters: 13.32; 14.299; 11.46; 90; 90; 90;

COD ID: 4112644

Formula: - C41 H34 Br2 Cl2 Cr3 N12 -
Comments: John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains Journal of the American Chemical Society 126 (2004) 7082-7096
Space group: P n n 2
Cell volume: 2122.5
Cell parameters: 13.0976; 14.2026; 11.4101; 90; 90; 90;

COD ID: 4112647

Formula: - C43 H34 Cl2 Cr3 N14 -
Comments: John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains Journal of the American Chemical Society 126 (2004) 7082-7096
Space group: P n n 2
Cell volume: 2142.5
Cell parameters: 13.2514; 14.1573; 11.4203; 90; 90; 90;

COD ID: 4116061

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236
Space group: P n n 2
Cell volume: 2034.41
Cell parameters: 12.9014; 14.0313; 11.2384; 90; 90; 90;

COD ID: 4117037
CIF file	Formula: - C41 H34 Cl4 Cr3 N12 - Comments: Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel Compounds with Linear, Bonded Trichromium Chains Journal of the American Chemical Society 119(42) (1997) 10223-10224 Space group: P n n 2 Cell volume: 2081.9 Cell parameters: 12.996; 14.1381; 11.3306; 90; 90; 90;

COD ID: 4117051

Formula: - C42 H36 Cl6 Co3 N12 -
Comments: F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions Journal of the American Chemical Society 119 (1997) 10377-10381
Space group: P n n 2
Cell volume: 1996.8
Cell parameters: 12.8145; 13.955; 11.166; 90; 90; 90;

COD ID: 4130008
CIF file	Formula: - C72 H162 Cs3 N O24 Si6 U2 - Comments: Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes. Journal of the American Chemical Society 138(6) (2016) 1784-1787 Space group: P n n 2 Cell volume: 5862.6 Cell parameters: 14.215; 17.0473; 24.193; 90; 90; 90;

COD ID: 4134428

Formula: - C84 H80 F24 Fe2 N20 P4 -
Comments: Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process. Journal of the American Chemical Society 142(12) (2020) 5819-5824
Space group: P n n 2
Cell volume: 4588.9
Cell parameters: 13.065; 29.3865; 11.9523; 90; 90; 90;

COD ID: 4300091

Formula: - C41 H34 Cl4 Cr3 N12 -
Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual Linear Trichromium Complexes with Direct Cr to Cr Contacts. 1. Compounds with Cr3(dipyridylamide)42+ Cores Inorganic Chemistry 39 (2000) 748-751
Space group: P n n 2
Cell volume: 2081.9
Cell parameters: 12.996; 14.1381; 11.3306; 90; 90; 90;

COD ID: 4303348

Formula: - C99 H176 O27 Si14 Ti2 -
Comments: Olle Viotti; Gulaim A. Seisenbaeva; Vadim G. Kessler Tripodal Tetrahedral Titanium Coordination in the Silica-Grafted Titania Epoxidation Catalysts: Is Not It Only a Myth? Selective Formation of [Cy7Si7O12Ti]2(μ-OR)2(μ-ROH) Cores on Thermal "Dissociation" of Alkoxytitanasilsesquioxanes Inorganic Chemistry 48 (2009) 9063-9065
Space group: P n n 2
Cell volume: 6329
Cell parameters: 17.087; 25.441; 14.559; 90; 90; 90;

COD ID: 4303349

Formula: - C102 H182 O27 Si14 Ti2 -
Comments: Olle Viotti; Gulaim A. Seisenbaeva; Vadim G. Kessler Tripodal Tetrahedral Titanium Coordination in the Silica-Grafted Titania Epoxidation Catalysts: Is Not It Only a Myth? Selective Formation of [Cy7Si7O12Ti]2(μ-OR)2(μ-ROH) Cores on Thermal "Dissociation" of Alkoxytitanasilsesquioxanes Inorganic Chemistry 48 (2009) 9063-9065
Space group: P n n 2
Cell volume: 6463
Cell parameters: 17.133; 25.514; 14.785; 90; 90; 90;

COD ID: 4305940

Formula: - C20 H154 Cu5 N20 Na11 Nb32 O147 Si8 -
Comments: Travis M. Anderson; Todd M. Alam; Mark A. Rodriguez; Joel N. Bixler; Wenqian Xu; John B. Parise; May Nyman Cupric Siliconiobate. Synthesis and Solid-State Studies of a Pseudosandwich-Type Heteropolyanion Inorganic Chemistry 47 (2008) 7834-7839
Space group: P n n 2
Cell volume: 11453
Cell parameters: 14.992; 25.426; 30.046; 90; 90; 90;

COD ID: 4308225
CIF file	Formula: - C41 H54 Cl O16 Os4 P2 Pt2 Sn - Comments: Richard D. Adams; Burjor Captain; Lei Zhu Addition of Pt(PBut3) to Osmium-Tin Cluster Complexes Inorganic Chemistry 46 (2007) 4605-4611 Space group: P n n 2 Cell volume: 2866.4 Cell parameters: 12.0543; 26.575; 8.9479; 90; 90; 90;

COD ID: 4309468
CIF file	Formula: - C44 H44 N4 O6 Pd2 - Comments: John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes Inorganic Chemistry 44 (2005) 6129-6137 Space group: P n n 2 Cell volume: 2017.4 Cell parameters: 11.0265; 18.1828; 10.0621; 90; 90; 90;

COD ID: 4312973
CIF file	Formula: - C41 H34 Cl4 Cu3 N12 - Comments: John F. Berry; F. Albert Cotton; Peng Lei; Carlos A. Murillo Further Structural and Magnetic Studies of Tricopper Dipyridylamido Complexes Inorganic Chemistry 42 (2003) 377-382 Space group: P n n 2 Cell volume: 2041.3 Cell parameters: 12.8757; 14.0119; 11.3144; 90; 90; 90;

COD ID: 4312974
CIF file	Formula: - C41 H34 Cl4 Cu3 N12 - Comments: John F. Berry; F. Albert Cotton; Peng Lei; Carlos A. Murillo Further Structural and Magnetic Studies of Tricopper Dipyridylamido Complexes Inorganic Chemistry 42 (2003) 377-382 Space group: P n n 2 Cell volume: 2089 Cell parameters: 12.952; 14.113; 11.43; 90; 90; 90;

COD ID: 4314345

Formula: - C67 H71 B Co N4 O2 -
Comments: Olivier Cador; Françoise Chabre; Andrea Dei; Claudio Sangregorio; Joris Van Slageren; Maria G. F. Vaz Temperature-Induced Solid-State Valence Tautomeric Interconversion in Two Cobalt-Schiff Base Diquinone Complexes Inorganic Chemistry 42 (2003) 6432-6440
Space group: P n n 2
Cell volume: 12280.7
Cell parameters: 41.396; 14.383; 20.626; 90; 90; 90;

COD ID: 4316438
CIF file	Formula: - C104 H192 N24 O42 Pd6 - Comments: Arun Kumar Bar; Golam Mostafa; Partha Sarathi Mukherjee A Pd6 Molecular Cage via Multicomponent Self-Assembly Incorporating Both Neutral and Anionic Linkers Inorganic Chemistry 49 (2010) 7647-7649 Space group: P n n 2 Cell volume: 7028 Cell parameters: 21.334; 23.745; 13.874; 90; 90; 90;

COD ID: 4319418

Formula: - C43 H34 Cl2 Co3 N14 -
Comments: Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands Inorganic Chemistry 40 (2001) 1265-1270
Space group: P n n 2
Cell volume: 2039.07
Cell parameters: 12.999; 13.972; 11.227; 90; 90; 90;

COD ID: 4324037

Formula: - C17 H30 Cl16 O8 Sb2 Ti -
Comments: Piotr Sobota; Sławomir Szafert Ionization of TiCl4 and MgCl2 during the Formation of a High-Activity α-Olefin Polymerization Catalyst. Crystal Structures of [cis-{C2H4(CO2Et)2}2Cl2Ti][SbCl6]2.CH2Cl2 and [Mg{C2H4(CO2Et)2}3][MgCl4].2CH2Cl2 Inorganic Chemistry 35 (1996) 1778-1781
Space group: P n n 2
Cell volume: 2156.5
Cell parameters: 16.178; 12.784; 10.427; 90; 90; 90;

COD ID: 4324974

Formula: - C72 H80 B2 F8 N5 Ni O8.5 P4 -
Comments: Avijita Jain; Sheri Lense; John C. Linehan; Simone Raugei; Herman Cho; Daniel L. DuBois; Wendy J. Shaw Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production Inorganic Chemistry 50 (2011) 4073-4085
Space group: P n n 2
Cell volume: 3703.8
Cell parameters: 15.136; 16.413; 14.909; 90; 90; 90;

COD ID: 4325963

Formula: - C41 H34 Cl4 Cr2 N12 Zn -
Comments: Michael Nippe; Eckhard Bill; John F. Berry Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds Inorganic Chemistry 50 (2011) 7650-7661
Space group: P n n 2
Cell volume: 2056.37
Cell parameters: 12.8753; 14.0725; 11.3494; 90; 90; 90;

COD ID: 4328240
CIF file	Formula: - C54 H79 Co - Comments: Hao Lei; James C. Fettinger; Philip P. Power Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond Inorganic Chemistry 51 (2012) 1821-1826 Space group: P n n 2 Cell volume: 2348.06 Cell parameters: 14.4108; 14.823; 10.9922; 90; 90; 90;

COD ID: 4328241
CIF file	Formula: - C54 H78 Co F - Comments: Hao Lei; James C. Fettinger; Philip P. Power Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond Inorganic Chemistry 51 (2012) 1821-1826 Space group: P n n 2 Cell volume: 2341.55 Cell parameters: 14.4101; 14.8119; 10.9705; 90; 90; 90;

COD ID: 4329359
CIF file	Formula: - C16 H22 Cu N4 O7 - Comments: Eszter Boros; Jacqueline F. Cawthray; Cara L. Ferreira; Brian O. Patrick; Michael J. Adam; Chris Orvig Evaluation of the H2dedpa Scaffold and its cRGDyK Conjugates for Labeling with 64Cu Inorganic Chemistry 51 (2012) 6279-6284 Space group: P n n 2 Cell volume: 1883.4 Cell parameters: 11.352; 15.584; 10.6461; 90; 90; 90;

COD ID: 4329697

Formula: - C60 H60 B2 Cl2 Co2 F8 N20 -
Comments: David Schweinfurth; Serhiy Demeshko; Marat M. Khusniyarov; Sebastian Dechert; Venkatanarayana Gurram; Michael R. Buchmeiser; Franc Meyer; Biprajit Sarkar Capped-Tetrahedrally Coordinated Fe(II) and Co(II) Complexes Using a "Click"-Derived Tripodal Ligand: Geometric and Electronic Structures Inorganic Chemistry 51 (2012) 7592-7597
Space group: P n n 2
Cell volume: 3751.29
Cell parameters: 12.4903; 24.7645; 12.1277; 90; 90; 90;

COD ID: 4330403

Formula: - C3 H28 I N2 O24 P8 Pt2 Rb2 -
Comments: Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations Inorganic Chemistry 51 (2012) 9967-9977
Space group: P n n 2
Cell volume: 3147.7
Cell parameters: 12.7396; 14.0609; 17.5723; 90; 90; 90;

COD ID: 4331451
CIF file	Formula: - B5 Br Eu2 O9 - Comments: Machida, K.I.; Kasai, N.; Yasuoka, N.; Shiokawa, J.; Adachi, G.Y. Crystal structure of europium(II) bromoborate Inorganic Chemistry 19 (1980) 3807-3811 Space group: P n n 2 Cell volume: 848.932 Cell parameters: 11.503; 11.382; 6.484; 90; 90; 90;

COD ID: 4332714

Formula: - C32 H41 Fe2 N2 -
Comments: Takemoto, Shin; Ogura, Shin-ichiro; Yo, Ho; Hosokoshi, Yuko; Kamikawa, Ken; Matsuzaka, Hiroyuki Diiron Amido−Imido Complex [(Cp*Fe)2(μ2-NHPh)(μ2-NPh)]: Synthesis and a Net Hydrogen Atom Abstraction Reaction To Form a Bis(imido) Complex Inorganic Chemistry 45(13) (2006) 4871-4873
Space group: P n n 2
Cell volume: 2932.1
Cell parameters: 12.0653; 15.218; 15.969; 90; 90; 90;

COD ID: 4335617
CIF file	Formula: - B3 H2 O7.5 Pb2 - Comments: Jun-Ling Song; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems Inorganic Chemistry 52 (2013) 8979-8986 Space group: P n n 2 Cell volume: 622.23 Cell parameters: 11.5824; 11.7664; 4.5657; 90; 90; 90;

COD ID: 4335928

Formula: - C24 H25 Cu3 N11 O7 -
Comments: Javeed Ahmad Sheikh; Himanshu Sekhar Jena; Amit Adhikary; Sajal Khatua; Sanjit Konar An Unprecedented Octadecanuclear Copper(II) Pyrazolate-Phosphonate Nanocage: Synthetic, Structural, Magnetic, and Mechanistic Study Inorganic Chemistry 52 (2013) 9717-9719
Space group: P n n 2
Cell volume: 3551
Cell parameters: 14.18; 23.34; 10.729; 90; 90; 90;

COD ID: 4346370

Formula: - C55 H120 P8 S16 U2 -
Comments: Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R. Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity. Inorganic chemistry 54(24) (2015) 11625-11636
Space group: P n n 2
Cell volume: 8443
Cell parameters: 21.242; 36.15; 10.995; 90; 90; 90;

COD ID: 4346452
CIF file	Formula: - C80 H60 N8 O16 Re4 - Comments: Govindarajan, R.; Nagarajaprakash, R.; Manimaran, Bala Synthesis, Structural Characterization, and Host-Guest Studies of Aminoquinonato-Bridged Re(I) Supramolecular Rectangles. Inorganic chemistry 54(22) (2015) 10686-10694 Space group: P n n 2 Cell volume: 6325 Cell parameters: 23.0606; 22.355; 12.2692; 90; 90; 90;

COD ID: 4505104
CIF file	Formula: - C46 H32.5 N6 O8.25 Zn2 - Comments: Dai, Yu-Mei; Ma, En; Tang, En; Zhang, Jian; Li, Zhao-Ji; Huang, Xu-Dong; Yao, Yuan-Gen Paratactic Assembly of Two Distinct Units into a Unique 3D Architecture Crystal Growth & Design 5(4) (2005) 1313 Space group: P n n 2 Cell volume: 4585 Cell parameters: 36.81; 10.419; 11.955; 90; 90; 90;

COD ID: 4505154
CIF file	Formula: - C15 H25 N4 O9 S - Comments: Custelcean, Radu; Ward, Michael D. Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks Crystal Growth & Design 5(6) (2005) 2277 Space group: P n n 2 Cell volume: 2075.9 Cell parameters: 13.5047; 22.3136; 6.8889; 90; 90; 90;

COD ID: 4517315

Formula: - B10 Cl2 O18 Sr4 -
Comments: Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa Ca2B5O9Cl and Sr2B5O9Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows. ACS applied materials & interfaces 12(4) (2020) 4632-4637
Space group: P n n 2
Cell volume: 837.3
Cell parameters: 11.302; 11.408; 6.494; 90; 90; 90;

COD ID: 4517316

Formula: - B10 Ca4 Cl2 O18 -
Comments: Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa Ca2B5O9Cl and Sr2B5O9Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows. ACS applied materials & interfaces 12(4) (2020) 4632-4637
Space group: P n n 2
Cell volume: 790.15
Cell parameters: 11.1369; 11.2626; 6.2995; 90; 90; 90;

COD ID: 7001718
CIF file	Formula: - C52 H72 N4 Na2 O2 Zn - Comments: Yang, Peiju; Yang, Xiao-Juan; Yu, Jie; Liu, Yanyan; Zhang, Chunxi; Deng, Yu-Heng; Wu, Biao Zinc compounds with or without Zn‒Zn bond: Alkali metal reduction of LZnCl2 (L = α-diimine ligands) Dalton Transactions (issue 29) (2009) 5773 Space group: P n n 2 Cell volume: 2813.9 Cell parameters: 18.267; 12.2088; 12.6174; 90; 90; 90;

COD ID: 7001901

Formula: - C9 H56 F0 N9 O41 P10 Zn10 -
Comments: Liu, Lei; Wragg, David S.; Zhang, Hongyan; Kong, Ying; Byrne, Peter J.; Prior, Timothy J.; Warren, John E.; Lin, Zhuojia; Dong, Jinxiang; Morris, Russell E. Ionothermal synthesis, structure and characterization of three-dimensional zinc phosphates Dalton Transactions (issue 34) (2009) 6715-6718
Space group: P n n 2
Cell volume: 2566.9
Cell parameters: 13.293; 13.782; 14.011; 90; 90; 90;

COD ID: 7003818

Formula: - C70 H44 Cu I2.33 N2 O6 P2 S3 -
Comments: Suresh, D.; Balakrishna, Maravanji S.; Rathinasamy, Krishnan; Panda, Dulal; Mague, Joel T. Large-bite bis(phosphite) ligand containing mesocyclic thioether moieties: synthesis, reactivity, group 11 (CuI, AuI) metal complexes and anticancer activity studies on a human cervical cancer (HeLa) cell line Dalton Transactions (issue 17) (2008) 2285-2292
Space group: P n n 2
Cell volume: 9413.9
Cell parameters: 38.803; 13.801; 17.579; 90; 90; 90;

COD ID: 7004565

Formula: - C16 H22 N4 O7 Zn -
Comments: Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Platas-Iglesias, Carlos; de Blas, Andrés; Rodríguez-Blas, Teresa Zn(ii), Cd(ii) and Pb(ii) complexation with pyridinecarboxylate containing ligands Dalton Transactions (issue 42) (2008) 5754-5765
Space group: P n n 2
Cell volume: 1892.27
Cell parameters: 11.4629; 15.4564; 10.6802; 90; 90; 90;

COD ID: 7011181

Formula: - C16 H22 Ag Cl N4 O6 -
Comments: Goutam Kumar Patra; Israel Goldberg Coordination polymers of transition metal ions with polydentate imine ligands. Syntheses, materials characterization, and crystal structures of polymeric complexes of copper(I), silver(I) and zinc(II) J. Chem. Soc., Dalton Trans. (issue 6) (2002) 1051-1057
Space group: P n n 2
Cell volume: 1989.98
Cell parameters: 11.54; 11.54; 14.943; 90; 90; 90;

COD ID: 7013172
CIF file	Formula: - C43 H34 Cl2 N14 Ni3 - Comments: Berry, John F.; Albert Cotton, F.; Murillo, Carlos A. Making connections with molecular wires: extending tri-nickel chains with axial cyanide, dicyanamide, and phenylacetylide ligands Dalton Transactions (issue 15) (2003) 3015-3021 Space group: P n n 2 Cell volume: 2104.9 Cell parameters: 13.0161; 14.0693; 11.4942; 90; 90; 90;

COD ID: 7014591

Formula: - C38.5 H32 Cl F6 N2 O3 P2 Re -
Comments: Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction. Dalton transactions (Cambridge, England : 2003) 40(1) (2011) 269-276
Space group: P n n 2
Cell volume: 3616.7
Cell parameters: 21.0703; 11.378; 15.0859; 90; 90; 90;

COD ID: 7018130

Formula: - C24 H33 As4 Na4 O31 V5 -
Comments: Breen, John M.; Clérac, Rodolphe; Zhang, Lei; Cloonan, Suzanne M.; Kennedy, Elaine; Feeney, Martin; McCabe, Thomas; Williams, D. Clive; Schmitt, Wolfgang Self-assembly of hybrid organic-inorganic polyoxovanadates: functionalised mixed-valent clusters and molecular cages. Dalton transactions (Cambridge, England : 2003) 41(10) (2012) 2918-2926
Space group: P n n 2
Cell volume: 4506
Cell parameters: 14.512; 22.664; 13.699; 90; 90; 90;

COD ID: 7025670
CIF file	Formula: - C52 H70 Ce2 S2 - Comments: Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J. Sigma bond metathesis with pentamethylcyclopentadienyl ligands in sterically crowded (C5Me5)3M complexes. Dalton transactions (Cambridge, England : 2003) 39(29) (2010) 6767-6773 Space group: P n n 2 Cell volume: 2373 Cell parameters: 10.3287; 11.7979; 19.4736; 90; 90; 90;

COD ID: 7025672
CIF file	Formula: - C52 H70 La2 Se2 - Comments: Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J. Sigma bond metathesis with pentamethylcyclopentadienyl ligands in sterically crowded (C5Me5)3M complexes. Dalton transactions (Cambridge, England : 2003) 39(29) (2010) 6767-6773 Space group: P n n 2 Cell volume: 2429 Cell parameters: 10.3729; 12.0187; 19.4835; 90; 90; 90;

COD ID: 7025673
CIF file	Formula: - C52 H70 Pr2 S2 - Comments: Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J. Sigma bond metathesis with pentamethylcyclopentadienyl ligands in sterically crowded (C5Me5)3M complexes. Dalton transactions (Cambridge, England : 2003) 39(29) (2010) 6767-6773 Space group: P n n 2 Cell volume: 2368.9 Cell parameters: 10.3504; 11.7647; 19.4542; 90; 90; 90;

COD ID: 7026936

Formula: - C79 H176 Al8 Mg4 O28 -
Comments: Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Khavasi, Hamid Reza A single source precursor for low temperature processing of nanocrystalline MgAl2O4 spinel: synthesis and characterization of [MgAl2(μ3-O)(μ2-O(i)Pr)4(O(i)Pr)2]4. Dalton transactions (Cambridge, England : 2003) 39(45) (2010) 10830-10832
Space group: P n n 2
Cell volume: 11166
Cell parameters: 26.487; 28.262; 14.916; 90; 90; 90;

COD ID: 7028573

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 2037.9
Cell parameters: 14.0472; 12.9062; 11.2407; 90; 90; 90;

COD ID: 7028574

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 1889.3
Cell parameters: 13.7147; 12.705; 10.8427; 90; 90; 90;

COD ID: 7028575

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 1760.7
Cell parameters: 13.502; 12.5615; 10.381; 90; 90; 90;

COD ID: 7028576

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 1700
Cell parameters: 13.3971; 12.45; 10.192; 90; 90; 90;

COD ID: 7028577

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 1954.1
Cell parameters: 13.8547; 12.7941; 11.0243; 90; 90; 90;

COD ID: 7028578

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 1878.7
Cell parameters: 13.6906; 12.6908; 10.8131; 90; 90; 90;

COD ID: 7028579

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 1825.3
Cell parameters: 13.5953; 12.6243; 10.6351; 90; 90; 90;

COD ID: 7028580

Formula: - C41 H34 Cl4 Co3 N12 -
Comments: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B. A structural study of a three-membered linear metal chain compound at elevated pressure. Dalton transactions (Cambridge, England : 2003) 43(3) (2014) 1313-1320
Space group: P n n 2
Cell volume: 1737.7
Cell parameters: 13.4678; 12.5281; 10.299; 90; 90; 90;

COD ID: 7029331

Formula: - C6 H22 B20 -
Comments: Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods. Dalton transactions (Cambridge, England : 2003) 43(13) (2014) 4969-4977
Space group: P n n 2
Cell volume: 926.3
Cell parameters: 11.4869; 11.6934; 6.8962; 90; 90; 90;

COD ID: 7029457

Formula: - C42 H60 Mo10 N28 O51 P4 Zn2 -
Comments: Li, Zi-Liang; Wang, Ying; Zhang, Lan-Cui; Wang, Jian-Ping; You, Wan-Sheng; Zhu, Zai-Ming Three molybdophosphates based on Strandberg-type anions and Zn(ii)-H2biim/H2O subunits: syntheses, structures and catalytic properties. Dalton transactions (Cambridge, England : 2003) 43(15) (2014) 5840-5846
Space group: P n n 2
Cell volume: 4482.1
Cell parameters: 20.086; 21.185; 10.5333; 90; 90; 90;

COD ID: 7032144

Formula: - C166 H219 Mo N11 O6 S4 -
Comments: Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents. Dalton transactions (Cambridge, England : 2003) 43(41) (2014) 15491-15502
Space group: P n n 2
Cell volume: 7932.6
Cell parameters: 14.4864; 25.173; 21.753; 90; 90; 90;

COD ID: 7032147

Formula: - C166 H219 N11 O6 S4 W -
Comments: Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents. Dalton transactions (Cambridge, England : 2003) 43(41) (2014) 15491-15502
Space group: P n n 2
Cell volume: 7960
Cell parameters: 14.503; 25.17; 21.806; 90; 90; 90;

COD ID: 7033570

Formula: - C66 H66 F10 N8 O4 -
Comments: Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B. Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes. Dalton transactions (Cambridge, England : 2003) 44(5) (2015) 2066-2070
Space group: P n n 2
Cell volume: 6421.3
Cell parameters: 29.8511; 27.674; 7.773; 90; 90; 90;

COD ID: 7037716

Formula: - C208 H184 K2 Mn25 N12 O138 P20 -
Comments: Chimamkpam, Theresa O.; Clérac, Rodolphe; Mitcov, Dmitri; Twamley, Brendan; Venkatesan, Munuswamy; Schmitt, Wolfgang Structural variation in cation-assisted assembly of high-nuclearity Mn arsonate and phosphonate wheels. Dalton transactions (Cambridge, England : 2003) 45(4) (2016) 1349-1353
Space group: P n n 2
Cell volume: 16903.4
Cell parameters: 47.9173; 13.8095; 25.5449; 90; 90; 90;

COD ID: 7038913
CIF file	Formula: - C76 H42 B2 F48 Mg N6 - Comments: Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles. Dalton transactions (Cambridge, England : 2003) 45(18) (2016) 7900-7911 Space group: P n n 2 Cell volume: 4310.9 Cell parameters: 17.574; 14.57; 16.836; 90; 90; 90;

COD ID: 7040128

Formula: - C33 H31 Al Cl2 N2 -
Comments: Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R. Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity. Dalton transactions (Cambridge, England : 2003) 45(35) (2016) 13787-13797
Space group: P n n 2
Cell volume: 1453.43
Cell parameters: 10.0003; 11.7787; 12.3391; 90; 90; 90;

COD ID: 7042922
CIF file	Formula: - C24 H20 Cl2 Cr2 N4 O6 - Comments: Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan Magneto-structural correlations in a family of dialkoxo bridged chromium dimers Dalton Trans. (2017) Space group: P n n 2 Cell volume: 1246.2 Cell parameters: 7.81306; 12.1722; 13.10384; 90; 90; 90;

COD ID: 7042927
CIF file	Formula: - C24 H20 Br2 Cr2 N4 O6 - Comments: Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan Magneto-structural correlations in a family of dialkoxo bridged chromium dimers Dalton Trans. (2017) Space group: P n n 2 Cell volume: 1279.88 Cell parameters: 7.8068; 12.2423; 13.3916; 90; 90; 90;

COD ID: 7045062

Formula: - C41 H34 Cl4 Co N12 Ru2 -
Comments: Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming Stepwise synthesis of the heterotrimetallic chains [MRu2(dpa)4X2]0/1+ using group 7 to group 12 transition metal ions and [Ru2(dpa)4Cl]. Dalton transactions (Cambridge, England : 2003) 47(5) (2018) 1422-1434
Space group: P n n 2
Cell volume: 2068.16
Cell parameters: 13.0347; 14.13; 11.229; 90; 90; 90;

COD ID: 7046707

Formula: - C20 H26 Cl2 Fe N6 O8 -
Comments: García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover. Dalton transactions (Cambridge, England : 2003) 47(27) (2018) 9156-9163
Space group: P n n 2
Cell volume: 2617.35
Cell parameters: 16.9207; 15.7742; 9.8061; 90; 90; 90;

COD ID: 7047930

Formula: - C24 H35 B5 N O12 -
Comments: Tomaszewski, Patryk; Wiszniewski, Marcin; Serwatowski, Janusz; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz Synthesis of tetraarylborates via tetralithio intermediates and the effect of polar functional groups and cations on their crystal structures. Dalton transactions (Cambridge, England : 2003) 47(46) (2018) 16627-16637
Space group: P n n 2
Cell volume: 1454.1
Cell parameters: 14.1966; 8.5378; 11.9968; 90; 90; 90;

COD ID: 7052892
CIF file	Formula: - C46 H38 Cl Cr Mn2 N14 O3 - Comments: Shen, Xiaoping; Zhang, Qian; Zhou, Hongbo; Zhou, Hu; Yuan, Aihua Syntheses, crystal structures and magnetic properties of two low-dimensional cyano-bridged CrIII‒MnII/III assemblies New Journal of Chemistry 36(5) (2012) 1180 Space group: P n n 2 Cell volume: 2668.4 Cell parameters: 10.1986; 18.9137; 13.8337; 90; 90; 90;

COD ID: 7054918

Formula: - C19.32 H81.1 N4.83 O81.17 Se2 V11.46 W10.14 -
Comments: Abramov, Pavel A.; Peresypkina, Eugenia V.; Izarova, Natalia V.; Vicent, Cristian; Zhdanov, Artem A.; Kompankov, Nikolay B.; Gutsul, Tatiana; Sokolov, Maxim N. Polyoxoanions assembled by the condensation of vanadate, tungstate and selenite: solution studies and crystal structures of the mixed metal derivatives (NMe4)2Na2[WVI4VV2O19]·8H2O and (NMe4)4.83[(SeIVWVI4.57VV4.43O33)2(WVI(O)(H2O))(VVO)2.6]·10.57H2O New J. Chem. 40(2) (2016) 937
Space group: P n n 2
Cell volume: 5323.9
Cell parameters: 19.4257; 21.2136; 12.9194; 90; 90; 90;

COD ID: 7056202
CIF file	Formula: - C5 H6 N8 O13 - Comments: Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei An interesting ring cleavage of 1,2,4-oxadiazole ring New J. Chem. (2017) Space group: P n n 2 Cell volume: 678.3 Cell parameters: 10.396; 11.229; 5.8102; 90; 90; 90;

COD ID: 7106010
CIF file	Formula: - C8 H29 Al B2 N4 - Comments: Hugh J. Cowley Mark S. Holt Rebecca L. Melen Jeremy M. Rawson Dominic S. Wright Catalytic dehydrocoupling of Me2NHBH3 with Al(NMe2)3 Chem.Commun. 47 (2011) 2682 Space group: P n n 2 Cell volume: 758.79 Cell parameters: 10.126; 11.6705; 6.4209; 90; 90; 90;

COD ID: 7106049
CIF file	Formula: - C132 H96 Cu7 I3 N12 S8 W2 - Comments: Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng [WS4Cu3I2]- and [WS4Cu4]2+ Secondary Building Units Formed Metal-Organic Framework: Large Tubes in Highly Interpenetrated System Chem.Commun. 47 (2011) 2919 Space group: P n n 2 Cell volume: 16586.5 Cell parameters: 25.433; 31.146; 20.939; 90; 90; 90;

COD ID: 7107454
CIF file	Formula: - C18.25 H15 N1.5 O4.5 Zn0.5 - Comments: Wenbin Lin; Liang Wen; Peng Cheng Solvent-induced single-crystal to single-crystal transformation of a 2D coordination network to a 3D metal-organic framework greatly enhances porosity and hydrogen uptake Chem.Commun. 48 (2012) 2846 Space group: P n n 2 Cell volume: 3653.6 Cell parameters: 14.3366; 36.0309; 7.073; 90; 90; 90;

COD ID: 7108268
CIF file	Formula: - C4 H28 Co5 N5 O20 P5 - Comments: Bryan Yonemoto; Zhuo-jia Lin; Feng Jiao A general synthetic method for MPO4 (M = Co, Fe, Mn) frameworks using deep-eutectic solvents Chem.Commun. 48 (2012) 9132 Space group: P n n 2 Cell volume: 2582 Cell parameters: 13.361; 13.789; 14.017; 90; 90; 90;

COD ID: 7109097

Formula: - C96 H164 Cr7 F8 N Ni O32 S2 -
Comments: Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces Chem.Commun. 49 (2013) 3404
Space group: P n n 2
Cell volume: 6805
Cell parameters: 14.5209; 17.2203; 27.214; 90; 90; 90;

COD ID: 7109433
CIF file	Formula: - C11 H16 Cu2 I2 N4 - Comments: Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift Chem.Commun. 49 (2013) 6152 Space group: P n n 2 Cell volume: 1675.22 Cell parameters: 17.6379; 9.6123; 9.8809; 90; 90; 90;

COD ID: 7109434
CIF file	Formula: - C11 H16 Cu2 I2 N4 - Comments: Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift Chem.Commun. 49 (2013) 6152 Space group: P n n 2 Cell volume: 1684.26 Cell parameters: 17.685; 9.6255; 9.8942; 90; 90; 90;

COD ID: 7109435
CIF file	Formula: - C11 H16 Cu2 I2 N4 - Comments: Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift Chem.Commun. 49 (2013) 6152 Space group: P n n 2 Cell volume: 1694.76 Cell parameters: 17.7336; 9.647; 9.9065; 90; 90; 90;

COD ID: 7109436
CIF file	Formula: - C11 H16 Cu2 I2 N4 - Comments: Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift Chem.Commun. 49 (2013) 6152 Space group: P n n 2 Cell volume: 1757.6 Cell parameters: 17.9821; 9.7493; 10.0256; 90; 90; 90;

COD ID: 7112162
CIF file	Formula: - C27 H27 N O4 - Comments: Keiji Mori; Kazuki Kurihara; Takahiko Akiyama Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization Chem.Commun. 50 (2014) 3729 Space group: P n n 2 Cell volume: 2232.4 Cell parameters: 14.974; 19.497; 7.6466; 90; 90; 90;

COD ID: 7112408
CIF file	Formula: - C29 H38 Fe N6 O2 - Comments: Hsieh, Chung-Hung; Pulukkody, Randara; Darensbourg, Marcetta Y. A dinitrosyl iron complex as a platform for metal-bound imidazole to N-heterocyclic carbene conversion. Chemical communications (Cambridge, England) 49(81) (2013) 9326-9328 Space group: P n n 2 Cell volume: 2758 Cell parameters: 12.373; 23.135; 9.6348; 90; 90; 90;

COD ID: 7114161
CIF file	Formula: - C H4 N0.5 O14 P3 Zn4 - Comments: Neeraj, S.; Cheetham, A. K. Synthesis of open-framework zinc phosphates from organophosphorus amides Chemical Communications (issue 16) (2002) 1738 Space group: P n n 2 Cell volume: 1405.6 Cell parameters: 15.284; 17.726; 5.1882; 90; 90; 90;

COD ID: 7116761
CIF file	Formula: - C34.93 H66.85 B11 Li2 N2 O5.48 - Comments: Matthew J. Asay; Steven P. Fisher; Sarah E. Lee; Fook S. Tham; Dan Borchardt; Vincent Lavallo Synthesis of unsymmetrical N-carboranyl NHCs: directing effect of the carborane anion Chem.Commun. 51 (2015) 5359 Space group: P n n 2 Cell volume: 4492.2 Cell parameters: 15.9089; 26.7369; 10.561; 90; 90; 90;

COD ID: 7128192

Formula: - C84 H86 Fe2 N12 O26 -
Comments: Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry. Chemical communications (Cambridge, England) 57(42) (2021) 5143-5146
Space group: P n n 2
Cell volume: 5394.5
Cell parameters: 23.0817; 23.3506; 10.0089; 90; 90; 90;

COD ID: 7128891

Formula: - C31 H38 F6 N2 P Sb -
Comments: Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul Synthesis and reactivity of NHC-coordinated phosphinidene oxide. Chemical communications (Cambridge, England) 57(75) (2021) 9546-9549
Space group: P n n 2
Cell volume: 3242.4
Cell parameters: 38.1631; 9.9045; 8.5781; 90; 90; 90;

COD ID: 7129437

Formula: - C120 H264 O44 Sm8 U4 -
Comments: Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange Chemical Communications (2022)
Space group: P n n 2
Cell volume: 9142.3
Cell parameters: 24.442; 29.447; 12.7021; 90; 90; 90;

COD ID: 7204999

Formula: - C26 H34 N2 O2 -
Comments: Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials Journal of the Chemical Society, Perkin Transactions 2 (issue 3) (2002) 533
Space group: P n n 2
Cell volume: 1201.7
Cell parameters: 12.6113; 16.164; 5.8952; 90; 90; 90;

COD ID: 7208644
CIF file	Formula: - C30 H32 N4 O14 - Comments: Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks CrystEngComm 14(23) (2012) 7869 Space group: P n n 2 Cell volume: 1247.96 Cell parameters: 14.0268; 17.7897; 5.0012; 90; 90; 90;

COD ID: 7208645
CIF file	Formula: - C22 H14 N4 O9 - Comments: Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks CrystEngComm 14(23) (2012) 7869 Space group: P n n 2 Cell volume: 1233.2 Cell parameters: 17.7028; 13.9075; 5.009; 90; 90; 90;

COD ID: 7208655

Formula: - C38 H32 N6 O10 Zn3 -
Comments: Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes CrystEngComm 14(20) (2012) 6548
Space group: P n n 2
Cell volume: 3599.7
Cell parameters: 18.662; 20.461; 9.4272; 90; 90; 90;

COD ID: 7211033
CIF file	Formula: - C69 H50 In2 N4 O14 - Comments: Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction CrystEngComm 15(45) (2013) 9562 Space group: P n n 2 Cell volume: 3087.64 Cell parameters: 13.0268; 23.255; 10.1923; 90; 90; 90;

COD ID: 7211034
CIF file	Formula: - C65 H50 In2 N4 O14 - Comments: Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction CrystEngComm 15(45) (2013) 9562 Space group: P n n 2 Cell volume: 2969.57 Cell parameters: 12.4606; 23.6079; 10.0948; 90; 90; 90;

COD ID: 7211288

Formula: - F1.159 H0.841 Mn O0.841 -
Comments: Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Avdeev, Maxim; Liu, Samuel; Ling, Chris D. Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF(2-x)(OH)x (x ~ 0.8). Physical chemistry chemical physics : PCCP 15(31) (2013) 13061-13069
Space group: P n n 2
Cell volume: 79.54
Cell parameters: 4.7127; 5.203; 3.2439; 90; 90; 90;

COD ID: 7218614
CIF file	Formula: - C22 H32 Br4 Cu4 N8 - Comments: Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties RSC Adv. (2014) Space group: P n n 2 Cell volume: 1616.6 Cell parameters: 9.568; 17.673; 9.56; 90; 90; 90;

COD ID: 7219028

Formula: - C12 H24 F6 K O6 P -
Comments: Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties. Physical chemistry chemical physics : PCCP 17(4) (2015) 2838-2849
Space group: P n n 2
Cell volume: 968.6
Cell parameters: 7.84; 10.813; 11.426; 90; 90; 90;

COD ID: 7221176
CIF file	Formula: - Ba Hg S4 Sn - Comments: Teske, C.L. Darstellung und Kristallstruktur von Barium-Quecksilber-Thiostannat(IV), Ba Hg Sn S4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 7-11 Space group: P n n 2 Cell volume: 774.484 Cell parameters: 10.804; 10.84; 6.613; 90; 90; 90;

COD ID: 7223437
CIF file	Formula: - C45 H54.75 O33.5 Zn6 - Comments: McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E. Coordination polymers of 5-substituted isophthalic acid. CrystEngComm / RSC 18(7) (2016) 1123-1132 Space group: P n n 2 Cell volume: 6211.3 Cell parameters: 20.775; 27.566; 10.846; 90; 90; 90;

COD ID: 7242083

Formula: - C64 H44 N10 O13 Zn2 -
Comments: Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand CrystEngComm 23(6) (2021) 1497-1506
Space group: P n n 2
Cell volume: 5843.2
Cell parameters: 13.8693; 50.702; 8.3094; 90; 90; 90;

COD ID: 7245789
CIF file	Formula: - C44 H58 N12 O16 S4 - Comments: Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions CrystEngComm (2022) Space group: P n n 2 Cell volume: 1260.9 Cell parameters: 8.0559; 21.6299; 7.2362; 90; 90; 90;

COD ID: 7248823

Formula: - C38 H35.8 B2 Cu F8 N9 O0.4 -
Comments: Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system CrystEngComm 26(26) (2024) 3574-3592
Space group: P n n 2
Cell volume: 1906.89
Cell parameters: 11.1724; 12.347; 13.8235; 90; 90; 90;

COD ID: 7700229

Formula: - C32 H44 B2 O2 Te -
Comments: Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes. Dalton transactions (Cambridge, England : 2003) 48(27) (2019) 10210-10219
Space group: P n n 2
Cell volume: 1556.9
Cell parameters: 10.0095; 12.3649; 12.5793; 90; 90; 90;

COD ID: 7702452
CIF file	Formula: - C41 H34 Br2 Cl2 Co3 N12 - Comments: Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping Structural and magnetic properties of Co3(dpa)4Br2 † Journal of the Chemical Society, Dalton Transactions (issue 4) (2001) 386 Space group: P n n 2 Cell volume: 1994.7 Cell parameters: 12.829; 13.935; 11.158; 90; 90; 90;

COD ID: 7702453
CIF file	Formula: - C41 H34 Br2 Cl2 Co3 N12 - Comments: Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping Structural and magnetic properties of Co3(dpa)4Br2 † Journal of the Chemical Society, Dalton Transactions (issue 4) (2001) 386 Space group: P n n 2 Cell volume: 2003.9 Cell parameters: 12.849; 13.956; 11.175; 90; 90; 90;

COD ID: 7702454
CIF file	Formula: - C41 H34 Br2 Cl2 Co3 N12 - Comments: Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping Structural and magnetic properties of Co3(dpa)4Br2 † Journal of the Chemical Society, Dalton Transactions (issue 4) (2001) 386 Space group: P n n 2 Cell volume: 2050.7 Cell parameters: 12.953; 14.055; 11.264; 90; 90; 90;

COD ID: 7704761

Formula: - C74 H145 Fe2 Li O7 P5 -
Comments: Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study. Dalton transactions (Cambridge, England : 2003) 49(29) (2020) 10091-10103
Space group: P n n 2
Cell volume: 8079.2
Cell parameters: 23.6571; 25.847; 13.2128; 90; 90; 90;

COD ID: 7716519

Formula: - C21 H28 Cl N5 Ni O3 S -
Comments: Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B. Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization? Dalton transactions (Cambridge, England : 2003) 53(29) (2024) 12349-12369
Space group: P n n 2
Cell volume: 3027.9
Cell parameters: 20.022; 8.8256; 17.135; 90; 90; 90;

COD ID: 8100803
CIF file	Formula: - B5 Ba2 Cl O9 - Comments: Held, Peter; Liebertz, Josef; Bohatý, Ladislav Crystal structure of dibarium pentaborate chloride, Ba~2~B~5~O~9~Cl Zeitschrift für Kristallographie - New Crystal Structures 217(4) (2002) 463-464 Space group: P n n 2 Cell volume: 900.6 Cell parameters: 11.6358; 11.583; 6.6823; 90; 90; 90;

COD ID: 8102042
CIF file	Formula: - C17 H16 Br2 N2 O4 - Comments: Dong, W.-K.; Feng, J.-H.; Yang, X.-Q. Crystal structure of 4,4'-dibromo-2,2'-((1,3-propylene)-dioxybis (nitrilomethylidyne))diphenol, C~16~H~16~Br~2~N~2~O~4~ Zeitschrift für Kristallographie - New Crystal Structures 221(4) (2006) 447-448 Space group: P n n 2 Cell volume: 894.3 Cell parameters: 6.2054; 28.788; 5.0063; 90; 90; 90;

COD ID: 9004923

Formula: - Al0.86 O33 P2 U2 -
Comments: Locock, A. J.; Kinman, W. S.; Burns, P. C. The structure and composition of uranospathite, Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, a non-centrosymmetric flourine-bearing mineral of the autunite group, and of a related synthetic lower hydrate, Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5 The Canadian Mineralogist 43 (2005) 989-1003
Space group: P n n 2
Cell volume: 1483.1
Cell parameters: 30.02; 7.0084; 7.0492; 90; 90; 90;

COD ID: 9007274
CIF file	Formula: - Al0.84 H Mg0.07 O2 Si0.09 - Comments: Kudoh, Y.; Kuribayashi, T.; Suzuki, A.; Ohtani, E.; Kamada, T. Space group and hydrogen sites of delta-AlOOH and implications for a hypothetical high-pressure form of Mg(OH)2 Physics and Chemistry of Minerals 31 (2004) 360-364 Space group: P n n 2 Cell volume: 55.968 Cell parameters: 4.6975; 4.206; 2.8327; 90; 90; 90;

COD ID: 9007379
CIF file	Formula: - H4 Mg10 O18 Si3 - Comments: Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R. Polymorphic phase transition in Superhydrous Phase B Sample: MKM0105 Note: z(O6) corrected by authors Physics and Chemistry of Minerals 32 (2005) 349-361 Space group: P n n 2 Cell volume: 625.707 Cell parameters: 14.024; 5.109; 8.733; 90; 90; 90;

COD ID: 9010488

Formula: - Ge3 H4 Mg10 O18 -
Comments: Thomas, S. M.; Muller, M. K.; Kahlenberg, V.; Thomas, R.; Rhede, D.; Wirth, R.; Wunder, B. Protonation in germanium equivalents of ringwoodite, anhydrous phase B, and superhydrous phase B Note: superhydrous phase B Ge-ringwoodite Note: published bond lengths could not be reproduced American Mineralogist 93 (2008) 1282-1294
Space group: P n n 2
Cell volume: 651.383
Cell parameters: 14.202; 5.1676; 8.8756; 90; 90; 90;

COD ID: 9012540
CIF file	Formula: - Fe Sb2 - Comments: Holseth, H.; Kjekshus, A. Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Powder X-ray diffractometer with strip charts Acta Chemica Scandinavica 23 (1969) 3043-3050 Space group: P n n 2 Cell volume: 121.921 Cell parameters: 5.8328; 6.5376; 3.1973; 90; 90; 90;

COD ID: 9012542
CIF file	Formula: - Fe Sb2 - Comments: Holseth, H.; Kjekshus, A. Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Powder X-ray counted by step-scanning Acta Chemica Scandinavica 23 (1969) 3043-3050 Space group: P n n 2 Cell volume: 121.921 Cell parameters: 5.8328; 6.5376; 3.1973; 90; 90; 90;

COD ID: 9012545
CIF file	Formula: - Fe Sb2 - Comments: Holseth, H.; Kjekshus, A. Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Single crystal X-ray from integrated Weissenberg film Acta Chemica Scandinavica 23 (1969) 3043-3050 Space group: P n n 2 Cell volume: 121.921 Cell parameters: 5.8328; 6.5376; 3.1973; 90; 90; 90;

COD ID: 9015703

Formula: - B10 Cl2 H2 O19 Pb4 -
Comments: Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G. Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE American Mineralogist 97 (2012) 1206-1212
Space group: P n n 2
Cell volume: 858.16
Cell parameters: 11.376; 11.505; 6.5568; 90; 90; 90;

COD ID: 9017584