Search results

Formula: - As5 Fe12 -
Comments: Maaref, S; Maddar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P Etude de la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5 Materials Research Bulletin 18 (1983) 473-480
Space group: R 3 :H
Cell volume: 650
Cell parameters: 6.7855; 6.7855; 16.30099; 90; 90; 120;

COD ID: 1007265

Formula: - As5 Fe10.77 Ru1.23 -
Comments: Maaref, S; Madar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P Etude des la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5 Materials Research Bulletin 18 (1983) 473-480
Space group: R 3 :H
Cell volume: 659.8
Cell parameters: 6.8234; 6.8234; 16.364; 90; 90; 120;

COD ID: 1010457
CIF file	Formula: - S Tl2 - Comments: Ketelaar, J A A; Gorter, E W Die Kristallstruktur des Thallosulfid ( Tl~2~ S ) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 367-375 Space group: R 3 :H Cell volume: 2342.1 Cell parameters: 12.2; 12.2; 18.17; 90; 90; 120;

COD ID: 1100103
CIF file	Formula: - H12 Mg O9 S - Comments: Flack, H Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6 Acta Crystallographica B (24,1968-38,1982) 29 (1973) 656-658 Space group: R 3 :H Cell volume: 612.8 Cell parameters: 8.83; 8.83; 9.075; 90; 90; 120;

COD ID: 1100179
CIF file	Formula: - C18 H22 O - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: R 3 :H Cell volume: 3372.15 Cell parameters: 23.056; 23.056; 7.325; 90; 90; 120;

COD ID: 1100180
CIF file	Formula: - C17 H20 O - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: R 3 :H Cell volume: 3272.75 Cell parameters: 22.864; 22.864; 7.229; 90; 90; 120;

COD ID: 1100187

Formula: - C22.17 H35.34 Cl0.34 N O4 -
Comments: Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution Synthesis 2001(9) (2001) 1395-1405
Space group: R 3 :H
Cell volume: 10528.8
Cell parameters: 28.224; 28.224; 15.262; 90; 90; 120;

COD ID: 1502521
CIF file	Formula: - C21 H24 N2 O4 - Comments: Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters. Organic letters 13(20) (2011) 5596-5599 Space group: R 3 :H Cell volume: 4495 Cell parameters: 19.502; 19.502; 13.648; 90; 90; 120;

COD ID: 1503706

Formula: - C27.667 H35.667 N O10.667 -
Comments: Ismail, Intan Safinar; Nagakura, Yuta; Hirasawa, Yusuke; Hosoya, Takahiro; Lazim, Mohd Izwan Mohd; Lajis, Nordin Hj; Shiro, Motoo; Morita, Hiroshi Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum. Journal of natural products 72(10) (2009) 1879-1883
Space group: R 3 :H
Cell volume: 6163.7
Cell parameters: 19.2969; 19.2969; 19.1134; 90; 90; 120;

COD ID: 1504071
CIF file	Formula: - C17 H22 Br N3 O5 - Comments: Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles. Organic letters 11(17) (2009) 3874-3877 Space group: R 3 :H Cell volume: 5192.3 Cell parameters: 21.619; 21.619; 12.828; 90; 90; 120;

COD ID: 1505488
CIF file	Formula: - C16 H20 N O5.5 - Comments: Banwell, Martin G.; Kokas, Okanya J.; Willis, Anthony C. Chemoenzymatic approaches to the montanine alkaloids: a total synthesis of (+)-brunsvigine. Organic letters 9(18) (2007) 3503-3506 Space group: R 3 :H Cell volume: 6792.9 Cell parameters: 16.3003; 16.3003; 29.5212; 90; 90; 120;

COD ID: 1506242
CIF file	Formula: - C42 H56 Cl2 N4 O12 - Comments: Hong, Wen-Xu; Chen, Ling-Jun; Zhong, Chun-Long; Yao, Zhu-Jun Bidirectional synthesis of the central amino acid of chloptosin. Organic letters 8(21) (2006) 4919-4922 Space group: R 3 :H Cell volume: 13609 Cell parameters: 27.991; 27.991; 20.057; 90; 90; 120;

COD ID: 1507134

Formula: - B3 H12 K Zn -
Comments: Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R. Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions The Journal of Physical Chemistry C 116(1) (2012) 1563
Space group: R 3 :H
Cell volume: 553.3
Cell parameters: 7.6291; 7.6291; 10.977; 90; 90; 120;

COD ID: 1507949
CIF file	Formula: - C24 H52.33 Br Cl2 N5 O2.33 P2 Ru - Comments: Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark Nitrenium ions as ligands for transition metals. Nature chemistry 3(7) (2011) 525-531 Space group: R 3 :H Cell volume: 7787 Cell parameters: 28.71; 28.71; 10.909; 90; 90; 120;

COD ID: 1508049
CIF file	Formula: - C48 H78 Fe N2 Na O3 P3 Si - Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565 Space group: R 3 :H Cell volume: 3654.73 Cell parameters: 17.9312; 17.9312; 13.1252; 90; 90; 120;

COD ID: 1508893

Formula: - C98 H156 F24 N22 Na4 O27 P4 -
Comments: Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco Structural effects of proline substitution and metal binding on hexameric cyclic peptoids. Organic letters 15(3) (2013) 598-601
Space group: R 3 :H
Cell volume: 9271
Cell parameters: 16.382; 16.382; 39.89; 90; 90; 120;

COD ID: 1510571
CIF file	Formula: - Au5 Sn - Comments: Yamaguchi, S.; Hirabayashi, M.; Osada, K. An ordered stucture of Au5 Sn Transactions of the Japan Institute of Metals 15 (1974) 256-260 Space group: R 3 :H Cell volume: 321.843 Cell parameters: 5.092; 5.092; 14.333; 90; 90; 120;

COD ID: 1512780

Formula: - C18 H12 Co3 N15 O4 P -
Comments: Kari Darling; Jon Zubieta Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system Inorganica Chimica Acta 394 (2013) 512-518
Space group: R 3 :H
Cell volume: 1858.5
Cell parameters: 22.202; 22.202; 4.3536; 90; 90; 120;

COD ID: 1521214
CIF file	Formula: - Cr2 D3.804 Zr - Comments: Irodova, A.V.; Suard, E. Order-disorder phase transition in the deuterated hexagonal (C14-type) Laves phase Zr Cr2 D3.8 Journal of Alloys Compd. 299 (2000) 32-38 Space group: R 3 :H Cell volume: 2024.8 Cell parameters: 9.3848; 9.3848; 26.5461; 90; 90; 120;

COD ID: 1521824
CIF file	Formula: - Ca2.1 Ce1.15 Cl0.17 F0.28 Fe0.15 H4.32 Hf0.05 K0.1 Mn3.6 Na16 Nb0.4 O77.11 Si25.6 Sr0.45 Ti0.1 Zr3.3 - Comments: Rastsvetaeva, R.K.; Khomyakov, A.P.; Nekrasov, Yu.V. Crystal structure of a novel analog of eudialyte with R3 symmetry Kristallografiya 44 (1999) 824-828 Space group: R 3 :H Cell volume: 5289.94 Cell parameters: 14.182; 14.182; 30.37; 90; 90; 120;

COD ID: 1522207

Formula: - Ge Li2 O6 Te -
Comments: Woodward, P.M.; Du, L.-S.; Sleight, A.W.; Grey, C.P. Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6 Journal of Solid State Chemistry 147 (1999) 99-116
Space group: R 3 :H
Cell volume: 311.506
Cell parameters: 5.00795; 5.00795; 14.3422; 90; 90; 120;

COD ID: 1522962
CIF file	Formula: - Ga4 Pd7 Zn3 - Comments: Subrahmanyam, A.V.; Schubert, K. Ueber die Mischung P Zn - Pd Ga Journal of the Less-Common Metals 32 (1973) 199-206 Space group: R 3 :H Cell volume: 604.423 Cell parameters: 11.531; 11.531; 5.249; 90; 90; 120;

COD ID: 1525784
CIF file	Formula: - Rb Sb0.33 Te6 U - Comments: Choi, K.-S.; Kanatzidis, M.G. Unique periodic modulations in the infinite (Tex)(n-) chains of Rb U Sb0.33 Te6 Journal of Solid State Chemistry 161 (2001) 17-22 Space group: R 3 :H Cell volume: 5231.96 Cell parameters: 15.741; 15.741; 24.382; 90; 90; 120;

COD ID: 1525845
CIF file	Formula: - Cs2 H6 O10 S Te - Comments: Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M. Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6 International Journal of Inorganic Materials 3 (2001) 861-873 Space group: R 3 :H Cell volume: 805.921 Cell parameters: 7.479; 7.479; 16.637; 90; 90; 120;

COD ID: 1526326
CIF file	Formula: - Al0.1 Ca1.77 Ce0.63 Cl0.3 Fe1.5 H5.75 K0.18 Mn2.1 Na15.99 Nb0.132 O77.6 Si25.9 Sr0.6 Ti0.168 Zr3.63 - Comments: Rastsvetaeva, R.K.; Khomyakov, A.P. Crystal structure of a new Mn, Na-ordered analog of eudialyte with R3 symmetry Kristallografiya 45 (2000) 649-652 Space group: R 3 :H Cell volume: 5288.76 Cell parameters: 14.205; 14.205; 30.265; 90; 90; 120;

COD ID: 1526546
CIF file	Formula: - K Ni O9 P3 - Comments: Kapshuk, A.A.; Nagornyi, P.G.; Petrenko, O.V. Synthesis, IR spectra and structures of double metaphosphates M Ni (P O3)3 (M= Na or K) Kristallografiya 45 (2000) 238-241 Space group: R 3 :H Cell volume: 612.153 Cell parameters: 10.076; 10.076; 6.9623; 90; 90; 120;

COD ID: 1527653
CIF file	Formula: - Fe2 P2 Se6 - Comments: Klingen, W.; Hahn, H.; Eulenberger, G. Ueber die Kristallstrukturen von Fe2 P2 Se6 und Fe2 P2 S6 Zeitschrift fuer Anorganische und Allgemeine Chemie 401 (1973) 97-112 Space group: R 3 :H Cell volume: 673.036 Cell parameters: 6.265; 6.265; 19.8; 90; 90; 120;

COD ID: 1528809

Formula: - Ca2.4 Ce0.57 Cl0.35 Fe1.2 H2.89 K0.18 Mn3.51 Na13.56 Nb0.43 O3.76 Si0.46 Ti0.06 Zr3 -
Comments: Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V. Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte Kristallografiya 51 (2006) 235-240
Space group: R 3 :H
Cell volume: 5220.97
Cell parameters: 14.134; 14.134; 30.178; 90; 90; 120;

COD ID: 1528810

Formula: - Ca3 Ce0.33 Cl0.53 F0.66 Fe1.44 H2.62 K0.21 Mn1.44 Na15.66 Nb0.27 O4.1 Si0.9 Sr0.36 Ti0.21 Y0.09 Zr3.54 -
Comments: Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V. Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte Kristallografiya 51 (2006) 235-240
Space group: R 3 :H
Cell volume: 5262.51
Cell parameters: 14.192; 14.192; 30.17; 90; 90; 120;

COD ID: 1529517
CIF file	Formula: - H6 I Na O7 - Comments: Abrahams, S.C.; Bernstein, J.L. Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure Journal of Chemical Physics 69 (1978) 4234-4237 Space group: R 3 :H Cell volume: 418.419 Cell parameters: 6.04272; 6.04272; 13.2317; 90; 90; 120;

COD ID: 1530362
CIF file	Formula: - P3 Pd7 - Comments: Matkovic, T.; Schubert, K. Kristallstruktur von Pd7 P3 Journal of the Less-Common Metals 55 (1977) 177-184 Space group: R 3 :H Cell volume: 876.297 Cell parameters: 11.976; 11.976; 7.055; 90; 90; 120;

COD ID: 1530433
CIF file	Formula: - Al1.89 As3 Fe0.19 H23 Mg2.53 Mn10.39 O34 - Comments: Moore, P.B.; Araki, T. Hematolite. A complex dense-packed sheet structure American Mineralogist 63 (1978) 150-159 Space group: R 3 :H Cell volume: 2170.44 Cell parameters: 8.275; 8.275; 36.6; 90; 90; 120;

COD ID: 1530985
CIF file	Formula: - H11.04 K6 Mn Mo9 O37.52 - Comments: Weakley, T.J.R. The crystal structure of potassium nonamolybdomanganate(IV) hexahydrate, K6 (Mn Mo9 O32) (H2 O)6 Journal of the Less-Common Metals 54 (1977) 289-296 Space group: R 3 :H Cell volume: 2618.44 Cell parameters: 15.59; 15.59; 12.44; 90; 90; 120;

COD ID: 1531096
CIF file	Formula: - Cd Cs N3 O6 - Comments: Avdeev, M.; Kharton, V. Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data Materials Research Bulletin 37 (2002) 735-743 Space group: R 3 :H Cell volume: 487.37 Cell parameters: 7.7305; 7.7305; 9.417; 90; 90; 120;

COD ID: 1531097
CIF file	Formula: - Cd N3 O6 Rb - Comments: Avdeev, M.; Kharton, V. Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data Materials Research Bulletin 37 (2002) 735-743 Space group: R 3 :H Cell volume: 465.507 Cell parameters: 7.629; 7.629; 9.2355; 90; 90; 120;

COD ID: 1531098
CIF file	Formula: - Cd K N3 O6 - Comments: Avdeev, M.; Kharton, V. Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data Materials Research Bulletin 37 (2002) 735-743 Space group: R 3 :H Cell volume: 455.266 Cell parameters: 7.5887; 7.5887; 9.1285; 90; 90; 120;

COD ID: 1531099
CIF file	Formula: - Cd N3 O6 Tl - Comments: Avdeev, M.; Kharton, V. Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data Materials Research Bulletin 37 (2002) 735-743 Space group: R 3 :H Cell volume: 464.364 Cell parameters: 7.6219; 7.6219; 9.23; 90; 90; 120;

COD ID: 1531227
CIF file	Formula: - Ca3 Nb1.95 O8 V0.05 - Comments: Cranswick, L.M.D.; Mumme, W.G.; Roth, R.S.; Grey, I.E.; Bordet, P. A new octahedral tilt in the perovskite phase Ca3 Nb2 O8 Journal of Solid State Chemistry 172 (2003) 178-187 Space group: R 3 :H Cell volume: 10277 Cell parameters: 16.91; 16.91; 41.5; 90; 90; 120;

COD ID: 1532389
CIF file	Formula: - C H5.2 B22 Ca6.1 Li5 Na1.6 O47 - Comments: Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Dimitrova, O.V.; Kantor, A.P. Crystal structure of new synthetic (Ca, Na, Li)-carbonate-borate Kristallografiya 47 (2002) 623-630 Space group: R 3 :H Cell volume: 2513.42 Cell parameters: 8.99; 8.99; 35.91; 90; 90; 120;

COD ID: 1532645
CIF file	Formula: - As6 H24 O53 V15 Zn2 - Comments: Cui Xiaobing; Xu Jiqing; Ding Lan; Ding Hong; Yang Guoyu; Ye Ling Hydrothermal synthesis, crystal structure and characterization of (Zn (H2 O)4)2 (H2 As6 V15 O42 (H2 O)) * 2(H2 O) Journal of Molecular Structure 660 (2003) 131-137 Space group: R 3 :H Cell volume: 4278.86 Cell parameters: 12.0601; 12.0601; 33.97; 90; 90; 120;

COD ID: 1532812
CIF file	Formula: - Cr1.33 Ga2 Se5 - Comments: Okonska-Kozlowska, I.; Szamocka, K.; Malicka, E.; Heimann, J.; Gron, T.; Mydlarz, T.; Gilewski, A.; Waskowska, A. The crystal structure and properties of Ga2 Cr1.33 Se5, a new layered semiconductor Journal of Alloys Compd. 366 (2004) 21-27 Space group: R 3 :H Cell volume: 579.502 Cell parameters: 3.781; 3.781; 46.807; 90; 90; 120;

COD ID: 1534101

Formula: - C24 H29 F N2 O5 -
Comments: Bonetti, Andrea; Pellegrino, Sara; Das, Priyadip; Yuran, Sivan; Bucci, Raffaella; Ferri, Nicola; Meneghetti, Fiorella; Castellano, Carlo; Reches, Meital; Gelmi, Maria Luisa Dipeptide Nanotubes Containing Unnatural Fluorine-Substituted β(2,3)-Diarylamino Acid and l-Alanine as Candidates for Biomedical Applications. Organic letters 17(18) (2015) 4468-4471
Space group: R 3 :H
Cell volume: 5439.2
Cell parameters: 31.82; 31.82; 6.203; 90; 90; 120;

COD ID: 1534466
CIF file	Formula: - Er13 Ge6 H O32 - Comments: Genkina, E.A.; Maximov, B.A.; Dem'yanets, L.N.; Mamin, B.F. Synthesis and atomic structure of Er13 Ge6 O31 (O H) Kristallografiya 35 (1990) 642-646 Space group: R 3 :H Cell volume: 1985 Cell parameters: 15.617; 15.617; 9.398; 90; 90; 120;

COD ID: 1534591
CIF file	Formula: - K2 O9 Si3 Ti - Comments: Lin, Z.; Ferreira, A.; Rocha, J. Synthesis and structural characterization of novel tin and titanium potassium silicates K4 M2 Si6 O18 Journal of Solid State Chemistry 175 (2003) 258-263 Space group: R 3 :H Cell volume: 1288.48 Cell parameters: 10.0124; 10.0124; 14.8413; 90; 90; 120;

COD ID: 1535209
CIF file	Formula: - F3 O4 P Sn3 - Comments: Berndt, A. F. Reaction of stannous fluoride with hydroxyapatite: The crystal structure of Sn~3PO~4~F~3~ Journal of Dental Research 51(1) (1972) 53-57 Space group: R 3 :H Cell volume: 572.275 Cell parameters: 11.87; 11.87; 4.69; 90; 90; 120;

COD ID: 1535828
CIF file	Formula: - C Ca Ce2 F2 - Comments: Donnay, G.; Donnay, J.D.H. The crystallography of bastnaesite, parisite, roentgenite, and synchisite American Mineralogist 38 (1953) 932-963 Space group: R 3 :H Cell volume: 3696.36 Cell parameters: 7.124; 7.124; 84.1; 90; 90; 120;

COD ID: 1535831
CIF file	Formula: - C Ca2 Ce3 F3 - Comments: Donnay, G.; Donnay, J.D.H. The crystallography of bastnaesite, parisite, roentgenite, and synchisite American Mineralogist 38 (1953) 932-963 Space group: R 3 :H Cell volume: 3056.26 Cell parameters: 7.131; 7.131; 69.39999; 90; 90; 120;

COD ID: 1536142
CIF file	Formula: - In4 P6 Se18 - Comments: Voroshilov, Yu.V.; Potorii, M.V.; Gebesh, V.Yu. Phase equilibria in In-P-Se system and crystal structure of beta - In4 (P2 Se6)3 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 27 (1991) 2495-2498 Space group: R 3 :H Cell volume: 698.56 Cell parameters: 6.362; 6.362; 19.929; 90; 90; 120;

COD ID: 1536329
CIF file	Formula: - S42 Sr17 Ta10 - Comments: Onoda, M.; Saeki, M.; Yajima, Y. Preparation and crystal structure model of a new strontium tantalumsulfide: Sr17 Ta10 S42 Journal of Solid State Chemistry 105 (1993) 354-362 Space group: R 3 :H Cell volume: 5324.2 Cell parameters: 18.1525; 18.1525; 18.65739; 90; 90; 120;

COD ID: 1537230
CIF file	Formula: - Bi11.23 Cl12.23 Ir - Comments: Ruck, M.; Hampel, S. Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x Polyhedron 21 (2002) 651-656 Space group: R 3 :H Cell volume: 2203.5 Cell parameters: 12.666; 12.666; 15.86; 90; 90; 120;

COD ID: 1537233
CIF file	Formula: - Bi11.7 Cl12.7 Rh - Comments: Ruck, M.; Hampel, S. Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x Polyhedron 21 (2002) 651-656 Space group: R 3 :H Cell volume: 2192.6 Cell parameters: 12.612; 12.612; 15.917; 90; 90; 120;

COD ID: 1537236
CIF file	Formula: - Bi11.28 Br12.28 Rh - Comments: Ruck, M.; Hampel, S. Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x Polyhedron 21 (2002) 651-656 Space group: R 3 :H Cell volume: 2388.22 Cell parameters: 12.961; 12.961; 16.416; 90; 90; 120;

COD ID: 1538359
CIF file	Formula: - Ni3 O6 Te - Comments: Newnham, R.E.; Meagher, E.P. Crystal structure of Ni3 Te O6 Materials Research Bulletin 2 (1967) 549-554 Space group: R 3 :H Cell volume: 310.2 Cell parameters: 5.103; 5.103; 13.755; 90; 90; 120;

COD ID: 1540954
CIF file	Formula: - Cu2.601 Mo9 S12 - Comments: Shamrai, V.F.; Leitus, G.M.; Tandid, A.V. Crystal structure of Cu1.73 Mo6 S7.9 Soviet Physics, Crystallography (= Kristallografiya) 32 (1987) 671-673 Space group: R 3 :H Cell volume: 240.044 Cell parameters: 5.18; 5.18; 10.33; 90; 90; 120;

COD ID: 1541134
CIF file	Formula: - P15.99 Si9 Sn4.2 - Comments: Pivan, J.Y.; Guerin, P.; Padiou, J.; Sergent, M. Preparation and crystal structure of the semiconducting compound Sn4.2 Si9 P16 Journal of Solid State Chemistry 76 (1988) 26-32 Space group: R 3 :H Cell volume: 1861.85 Cell parameters: 15.665; 15.665; 8.761; 90; 90; 120;

COD ID: 1541185
CIF file	Formula: - Na1.65 S6 Ti3 - Comments: Rouxel, J.; Danot, M.; Bichon, J. Les composes intercalaires Nax Ti S2. Etude structurale generale des phases Nax Ti S2 et Kx Ti S2 Bulletin de la Societe Chimique de France (Vol=Year) 1971 (1971) 3930-3935 Space group: R 3 :H Cell volume: 213.725 Cell parameters: 3.433; 3.433; 20.94; 90; 90; 120;

COD ID: 1541200
CIF file	Formula: - Pd8 Sb3 - Comments: Man, L.I.; Imamov, R.M. Crystal structure of the rhombohedral phase in the Pd-Sb system Soviet Physics, Crystallography (= Kristallografiya) 24 (1979) 365-367 Space group: R 3 :H Cell volume: 2155.25 Cell parameters: 7.59; 7.59; 43.2; 90; 90; 120;

COD ID: 1541283
CIF file	Formula: - Al4.2 Cu3.2 Zn0.7 - Comments: Murphy, S. The Structure of the T' Phase in the System Al-Cu-Zn Metal Science 9(1) (1975) 163-168 Space group: R 3 :H Cell volume: 366.43 Cell parameters: 4.111; 4.111; 25.036; 90; 90; 120;

COD ID: 1541426
CIF file	Formula: - As6.3 Cu0.84 Fe H6 Mg0.1 Mn13.9 O33 Si1.7 - Comments: Araki, T.; Moore, P.B. Dixeneite, Cu(1+) Mn(2+)14 Fe(3+) (OH)6 (As(3+)O3)5 (Si(4+) O4)2 (As(5+) O4): metallic (As(3+)4 Cu(1+)) clusters in an oxide matrix American Mineralogist 66 (1981) 1263-1273 Space group: R 3 :H Cell volume: 2201.24 Cell parameters: 8.233; 8.233; 37.499; 90; 90; 120;

COD ID: 1542874
CIF file	Formula: - C18 H48 Ge Si4 - Comments: Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta 422 (2014) 120-133 Space group: R 3 :H Cell volume: 1964.9 Cell parameters: 14.513; 14.513; 10.772; 90; 90; 120;

COD ID: 1542875
CIF file	Formula: - C18 H48 Ge5 - Comments: Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes Inorganica Chimica Acta 422 (2014) 120-133 Space group: R 3 :H Cell volume: 2022.5 Cell parameters: 14.643; 14.643; 10.892; 90; 90; 120;

COD ID: 1543508
CIF file	Formula: - C20 H23 N O4 - Comments: Breinholt, Jens; Jensen, Helle C.; Kjaer, Anders; Olsen, Carl E.; Rassing, Birgitte R.; Rosendahl, Connie N.; Sotofte, Inger Cladobotryal: a Fungal Metabolite with a Novel Ring System Acta Chemica Scandinavica 52 (1998) 631-634 Space group: R 3 :H Cell volume: 4424 Cell parameters: 19.678; 19.678; 13.192; 90; 90; 120;

COD ID: 1547492
CIF file	Formula: - C25 H29 N O5 - Comments: Cui, Hui; Lin, Yun; Luo, Mingchu; Lu, Yongjun; Huang, Xishan; She, Zhigang Diaporisoindoles A-C: Three Isoprenylisoindole Alkaloid Derivatives from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3. Organic letters 19(20) (2017) 5621-5624 Space group: R 3 :H Cell volume: 10363.4 Cell parameters: 19.7299; 19.7299; 30.7413; 90; 90; 120;

COD ID: 1547614
CIF file	Formula: - C25 H21 N O5 - Comments: He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones. Organic letters 19(20) (2017) 5513-5516 Space group: R 3 :H Cell volume: 10349.5 Cell parameters: 31.8047; 31.8047; 11.8143; 90; 90; 120;

COD ID: 1551373

Formula: - C168 H88 N26 O18 -
Comments: Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction Nature Chemistry 6 (2014) 779-784
Space group: R 3 :H
Cell volume: 9360
Cell parameters: 19.3322; 19.3322; 28.9191; 90; 90; 120;

COD ID: 1551374

Formula: - C168 H88 N26 O18 -
Comments: Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction Nature Chemistry 6 (2014) 779-784
Space group: R 3 :H
Cell volume: 9413.1
Cell parameters: 19.3695; 19.3695; 28.9712; 90; 90; 120;

COD ID: 1551375

Formula: - C168 H88 N26 O18 -
Comments: Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction Nature Chemistry 6 (2014) 779-784
Space group: R 3 :H
Cell volume: 9564.3
Cell parameters: 19.4976; 19.4976; 29.0508; 90; 90; 120;

COD ID: 1551377

Formula: - C168 H88 N26 O18 -
Comments: Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction Nature Chemistry 6 (2014) 779-784
Space group: R 3 :H
Cell volume: 9342.3
Cell parameters: 19.4393; 19.4393; 28.547; 90; 90; 120;

COD ID: 1552639

Formula: - C44 H52 N4 O11 -
Comments: Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa. Journal of natural products 82(4) (2019) 850-858
Space group: R 3 :H
Cell volume: 11810.8
Cell parameters: 30.7488; 30.7488; 14.4242; 90; 90; 120;

COD ID: 1552766
CIF file	Formula: - C28 H22 N3 P - Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106 Space group: R 3 :H Cell volume: 5851.3 Cell parameters: 34.841; 34.841; 5.566; 90; 90; 120;

COD ID: 1553667

Formula: - C18 H16 Cl4 N4 O2 -
Comments: Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties Materials Chemistry Frontiers 1(6) (2017) 1041
Space group: R 3 :H
Cell volume: 4476.6
Cell parameters: 14.7047; 14.7047; 23.9058; 90; 90; 120;

COD ID: 1554927
CIF file	Formula: - C16 H18 O - Comments: Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F Organic Chemistry Frontiers 6(15) (2019) 2771 Space group: R 3 :H Cell volume: 2696.2 Cell parameters: 20.961; 20.961; 7.086; 90; 90; 120;

COD ID: 1555598

Formula: - C19 H20 N2 O1.76 -
Comments: Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M. Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide. Organic letters 18(17) (2016) 4174-4177
Space group: R 3 :H
Cell volume: 3715.4
Cell parameters: 24.3768; 24.3768; 7.2197; 90; 90; 120;

COD ID: 1557152
CIF file	Formula: - C3 Ca2 K2 O9 - Comments: Winbo, Camilla; Bostrom, Dan; Gobbels, Matthias Crystal Structure of the Double Carbonate K2Ca2(CO3)3 Acta Chemica Scandinavica 51 (1997) 387-391 Space group: R 3 :H Cell volume: 1262.8 Cell parameters: 13.01; 13.01; 8.615; 90; 90; 120;

COD ID: 1558857

Formula: - C25 H13 -
Comments: Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns Chemical Science (2020)
Space group: R 3 :H
Cell volume: 6037.17
Cell parameters: 25.07149; 25.07149; 11.09028; 90; 90; 120;

COD ID: 1558898
CIF file	Formula: - Li10 N10 P4 - Comments: Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W. Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br Chemistry A European Journal 24 (2018) 196-205 Space group: R 3 :H Cell volume: 1413.31 Cell parameters: 8.71929; 8.71929; 21.4656; 90; 90; 120;

COD ID: 1558984

Formula: - C87 H114 Co F3 N4 O P3 Zr -
Comments: Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science (2020)
Space group: R 3 :H
Cell volume: 5913.9
Cell parameters: 20.3878; 20.3878; 16.4288; 90; 90; 120;

COD ID: 1559412

Formula: - C31 H28 N4 O5 -
Comments: Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry (2020)
Space group: R 3 :H
Cell volume: 6322.8
Cell parameters: 24.2245; 24.2245; 12.4413; 90; 90; 120;

COD ID: 1561860
CIF file	Formula: - O11 Pb Ta4 - Comments: Boltersdorf, Jonathan; Maggard, Paul A. Structural and electronic investigations of PbTa4O11 and BiTa7O19 constructed from α-U3O8 types of layers Journal of Solid State Chemistry 229 (2015) 310-321 Space group: R 3 :H Cell volume: 1241.81 Cell parameters: 6.237006; 6.237006; 36.86138; 90; 90; 120;

COD ID: 1562919
CIF file	Formula: - Ba Ga2 Ge S6 - Comments: Lin, Xinsong; Guo, Yifeng; Ye, Ning BaGa2GeX6(X=S, Se): New mid-IR nonlinear optical crystals with large band gaps Journal of Solid State Chemistry 195 (2012) 172-177 Space group: R 3 :H Cell volume: 691.58 Cell parameters: 9.5967; 9.5967; 8.671; 90; 90; 120;

COD ID: 1562920
CIF file	Formula: - Ba Ga2 Ge Se6 - Comments: Lin, Xinsong; Guo, Yifeng; Ye, Ning BaGa2GeX6(X=S, Se): New mid-IR nonlinear optical crystals with large band gaps Journal of Solid State Chemistry 195 (2012) 172-177 Space group: R 3 :H Cell volume: 796.2 Cell parameters: 10.0438; 10.0438; 9.114; 90; 90; 120;

COD ID: 1564175

Formula: - C58 H52 Br2 N4 Na2 Ni4 O12 -
Comments: Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong Multinuclear nickel(II) complexes with chiral schiff base ligand Inorganica Chimica Acta 511 (2020) 119798
Space group: R 3 :H
Cell volume: 19367.5
Cell parameters: 44.4417; 44.4417; 11.323; 90; 90; 120;

COD ID: 1564485

Formula: - C40 H102 Cl5.01 F0 Mo6 N19 O38.04 Ti -
Comments: Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution Inorganica Chimica Acta 509 (2020) 119691
Space group: R 3 :H
Cell volume: 5941.9
Cell parameters: 21.4608; 21.4608; 14.8972; 90; 90; 120;

COD ID: 1564486

Formula: - C36 H90 Cl6 In2 Mo6 N18 O45 -
Comments: Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution Inorganica Chimica Acta 509 (2020) 119691
Space group: R 3 :H
Cell volume: 6102.2
Cell parameters: 22.041; 22.041; 14.5043; 90; 90; 120;

COD ID: 1565779

Formula: - C81 H186 Ag20 O27 P12 Pt S24 -
Comments: Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Chiu, Tzu-Hao; Liao, Jian-Hong; Liu, C. W.; Saillard, Jean-Yves Alloying dichalcogenolate-protected Ag21 eight-electron nanoclusters: a DFT investigation. Nanoscale 14(1) (2021) 196-203
Space group: R 3 :H
Cell volume: 12341.1
Cell parameters: 22.7267; 22.7267; 27.59; 90; 90; 120;

COD ID: 1566522
CIF file	Formula: - C69 H96 N6 O6 - Comments: Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation Chemical Science (2022) Space group: R 3 :H Cell volume: 4953.79 Cell parameters: 20.366; 20.366; 13.791; 90; 90; 120;

COD ID: 1566523
CIF file	Formula: - C66 H90 N6 O6 - Comments: Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation Chemical Science (2022) Space group: R 3 :H Cell volume: 4918.88 Cell parameters: 20.3338; 20.3338; 13.7372; 90; 90; 120;

COD ID: 1568165

Formula: - C256 H432 Fe4 N28 O186 S12 -
Comments: Schwab, Jake H.; Bailey, Jake B.; Gembicky, Milan; Stauber, Julia M. Programmable synthesis of well-defined, glycosylated iron(ii) supramolecular assemblies with multivalent protein-binding capabilities. Chemical science 14(4) (2023) 1018-1026
Space group: R 3 :H
Cell volume: 26575
Cell parameters: 22.1273; 22.1273; 62.674; 90; 90; 120;

COD ID: 1568353
CIF file	Formula: - C15 H13 N3 Sn - Comments: Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja Excited state energy landscape of phosphorescent group 14 complexes. Chemical science 14(10) (2023) 2489-2500 Space group: R 3 :H Cell volume: 5919.1 Cell parameters: 28.972; 28.972; 8.1427; 90; 90; 120;

COD ID: 1569505
CIF file	Formula: - C43.67 H35.67 Cl5 N8 O6 S2 - Comments: Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties. Chemical science 14(31) (2023) 8393-8400 Space group: R 3 :H Cell volume: 10048.9 Cell parameters: 21.6918; 21.6918; 24.6601; 90; 90; 120;

COD ID: 1570702
CIF file	Formula: - C34 H19 B - Comments: Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission. Chemical science 15(8) (2024) 2984-2989 Space group: R 3 :H Cell volume: 4988.2 Cell parameters: 34.63; 34.63; 4.803; 90; 90; 120;

COD ID: 1572552

Formula: - C106 H124 Cl4 N8 O12 -
Comments: Hu, Ming; Ye, Fengying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song Highly Enhanced Chiroptical Effect from Self-Inclusion Helical Nanocrystals of Tetraphenylethylene Bimacrocycles Chemical Science (2024)
Space group: R 3 :H
Cell volume: 35437.1
Cell parameters: 30.058; 30.058; 45.2905; 90; 90; 120;

COD ID: 2000380
CIF file Original IUCr paper	Formula: - C26 H26 O - Comments: Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V. Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane Acta Crystallographica Section C 48(12) (1992) 2203-2207 Space group: R 3 :H Cell volume: 4440.4 Cell parameters: 23.978; 23.978; 8.918; 90; 90; 120;

COD ID: 2001597
CIF file Original IUCr paper	Formula: - C36 H30 Ir N3 - Comments: Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J. Structures of <i>ortho</i>-metalated [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes Acta Crystallographica Section C 49(6) (1993) 1117-1120 Space group: R 3 :H Cell volume: 5042.6 Cell parameters: 15.0144; 15.0144; 25.829; 90; 90; 120;

COD ID: 2002320
CIF file	Formula: - Ba3 Lu4 O9 - Comments: Krueger, J; Mueller-Buschbaum, Hk Ba3 Lu4 O9: Synthese und Strukturuntersuchung Zeitschrift fuer Anorganische und Allgemeine Chemie 512 (1984) 59-64 Space group: R 3 :H Cell volume: 779.5 Cell parameters: 6.03; 6.03; 24.75299; 90; 90; 120;

COD ID: 2002333
CIF file	Formula: - Ba3 O9 Yb4 - Comments: Krueger, J; Mueller-Buschbaum, Hk Die Struktur von Ba3 Yb4 O9 Revue de Chimie Minerale 20 (1983) 456-461 Space group: R 3 :H Cell volume: 785.9 Cell parameters: 6.042; 6.042; 24.85899; 90; 90; 120;

COD ID: 2002469
CIF file	Formula: - Ba3 O9 Tm4 - Comments: Mueller-Buschbaum, Hk; Scheikowski, M Zur Kristallstruktur von Ba3 Ln4 O9 (Ln = Tm, Ho) Zeitschrift fuer Anorganische und Allgemeine Chemie 591 (1990) 181-187 Space group: R 3 :H Cell volume: 792.6 Cell parameters: 6.0556; 6.0556; 24.9572; 90; 90; 120;

COD ID: 2002470
CIF file	Formula: - Ba3 Ho4 O9 - Comments: Mueller-Buschbaum, Hk; Scheikowski, M Zur Kristallstruktur von Ba3 Ln4 O9 (Ln = Tm, Ho) Zeitschrift fuer Anorganische und Allgemeine Chemie 591 (1990) 181-187 Space group: R 3 :H Cell volume: 809.3 Cell parameters: 6.0975; 6.0975; 25.13559; 90; 90; 120;

COD ID: 2002599
CIF file	Formula: - Ba3 Dy4 O9 - Comments: Mueller-Buschbaum, Hk; Schrandt, O Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb) Journal of Alloys Compd. 191 (1993) 151-154 Space group: R 3 :H Cell volume: 822.5 Cell parameters: 6.129; 6.129; 25.282; 90; 90; 120;

COD ID: 2002600
CIF file	Formula: - Ba3 Er4 O9 - Comments: Mueller-Buschbaum, Hk; Schrandt, O Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb) Journal of Alloys Compd. 191 (1993) 151-154 Space group: R 3 :H Cell volume: 804.4 Cell parameters: 6.086; 6.086; 25.077; 90; 90; 120;

COD ID: 2002601
CIF file	Formula: - Ba3 O9 Y2 Yb2 - Comments: Mueller-Buschbaum, Hk; Schrandt, O Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb) Journal of Alloys Compd. 191 (1993) 151-154 Space group: R 3 :H Cell volume: 800 Cell parameters: 6.077; 6.077; 25.01399; 90; 90; 120;

COD ID: 2004036
CIF file Original IUCr paper	Formula: - C48 H52 Cu4 N4 O8 - Comments: Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z. Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one Acta Crystallographica Section C 51(10) (1995) 1980-1982 Space group: R 3 :H Cell volume: 11742 Cell parameters: 30.195; 30.195; 14.871; 90; 90; 120;

COD ID: 2004164
CIF file Original IUCr paper	Formula: - C57 H45 Fe N3 O3 P3 S3 - Comments: Olejnik, Z.; Lis, T.; Ondrejkovicová, I. <i>fac</i>-Tris(isothiocyanato)tris(triphenylphosphine oxide)iron(III) at 80 K Acta Crystallographica Section C 51(11) (1995) 2246-2249 Space group: R 3 :H Cell volume: 15442 Cell parameters: 38.4; 38.4; 12.092; 90; 90; 120;

COD ID: 2005099
CIF file Original IUCr paper	Formula: - Li O4 P Zn - Comments: Bu, X.; Gier, T. E.; Stucky, G. D. A New Form of Lithium Zinc Phosphate with an Ordered Phenakite Structure, LiZnPO~4~ Acta Crystallographica Section C 52(7) (1996) 1601-1603 Space group: R 3 :H Cell volume: 1463 Cell parameters: 13.628; 13.628; 9.096; 90; 90; 120;

COD ID: 2005767
CIF file Original IUCr paper	Formula: - C21 H21 Cl O3 Sn - Comments: Wharf, I.; Lebuis, A.-M. Chlorotris(<i>m</i>-methoxyphenyl)tin(IV) Acta Crystallographica Section C 52(12) (1996) 3025-3027 Space group: R 3 :H Cell volume: 1506.7 Cell parameters: 16.094; 16.094; 6.717; 90; 90; 120;

COD ID: 2005897
CIF file Original IUCr paper	Formula: - C21 H21 Cl Sn - Comments: Ng, S. W. Tribenzyltin Chloride Acta Crystallographica Section C 53(1) (1997) 56-58 Space group: R 3 :H Cell volume: 1471.25 Cell parameters: 16.942; 16.942; 5.9187; 90; 90; 120;

COD ID: 2006992
CIF file Original IUCr paper	Formula: - C8 H12 Cl N O4 S - Comments: Andres E. Goeta; Carlos E. Boschetti; Oreste Mascaretti; Graciela Punte 6α-Chloro-3α-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide Acta Crystallographica Section C 54(2) (1998) 242-244 Space group: R 3 :H Cell volume: 2552 Cell parameters: 21.511; 21.511; 6.369; 90; 90; 120;

COD ID: 2007645
CIF file Original IUCr paper	Formula: - C24 H33 N O3 - Comments: Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni Enantiopure δ-Hydroxy-β-enamino Ketones Acta Crystallographica Section C 54(9) (1998) 1306-1309 Space group: R 3 :H Cell volume: 5285 Cell parameters: 27.132; 27.132; 8.29; 90; 90; 120;

COD ID: 2008217

Formula: - C40 H66 B F4 N4 O9 P3 -
Comments: Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.; N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium Two C~3~-symmetrical tris(ortho-substituted) tribenzylamines Acta Crystallographica Section C 55(3) (1999) 373-377
Space group: R 3 :H
Cell volume: 3494.1
Cell parameters: 18.1459; 18.1459; 12.2532; 90; 90; 120;

COD ID: 2009397

Formula: - C10 H14 Cl O2 -
Comments: Leigh, D. A.; Moody, A. E.; Pritchard, R. G. 2,7-Dimethyl-3,5-octadiyne-2,7-diol dichloromethane solvate: a clathrate comprising hydrogen-bonded supramolecular tunnels containing dichloromethane guest molecules Acta Crystallographica Section C 50(1) (1994) 129-131
Space group: R 3 :H
Cell volume: 2785
Cell parameters: 22.426; 22.426; 6.395; 90; 90; 120;

COD ID: 2010760

Formula: - C21 H21 O P -
Comments: Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel Tribenzylphosphine oxide Acta Crystallographica Section C 56(3) (2000) e98-e99
Space group: R 3 :H
Cell volume: 1318.3
Cell parameters: 16.685; 16.685; 5.468; 90; 90; 120;

COD ID: 2011227

Formula: - C10 H15 N3 O4 -
Comments: Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria 2'-Deoxy-5-methylisocytidine Acta Crystallographica Section C 56(8) (2000) 989-991
Space group: R 3 :H
Cell volume: 2544.2
Cell parameters: 16.611; 16.611; 10.6471; 90; 90; 120;

COD ID: 2013852

Formula: - C30 H39 Cl O4 -
Comments: Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate Acta Crystallographica Section C 60(1) (2004) o75-o78
Space group: R 3 :H
Cell volume: 5892.8
Cell parameters: 34.3749; 34.3749; 5.7585; 90; 90; 120;

COD ID: 2015441

Formula: - C11 H15 N O2 -
Comments: Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan (Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (R,E)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol Acta Crystallographica Section C 62(7) (2006) o389-o393
Space group: R 3 :H
Cell volume: 2779.8
Cell parameters: 23.561; 23.561; 5.7823; 90; 90; 120;

COD ID: 2017128

Formula: - C15 H30 Cl6 Cu4 N10 O -
Comments: Chiarella, Gina M.; Melgarejo, Doris Y.; Fackler Jr, John P. The neutral cluster amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II) Acta Crystallographica Section C 65(6) (2009) m228-m230
Space group: R 3 :H
Cell volume: 2106.2
Cell parameters: 17.548; 17.548; 7.898; 90; 90; 120;

COD ID: 2017293

Formula: - Cl3 H14 Li Mg O7 -
Comments: Schmidt, Horst; Euler, Bernhard; Voigt, Wolfgang; Heide, Gerhard Lithium carnallite, LiCl·MgCl~2~·7H~2~O Acta Crystallographica Section C 65(9) (2009) i57-i59
Space group: R 3 :H
Cell volume: 889.77
Cell parameters: 9.2322; 9.2322; 12.0541; 90; 90; 120;

COD ID: 2019018

Formula: - C42 H44 Cl2 P2 -
Comments: Levason, William; Pugh, David; Reid, Gillian Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1) Acta Crystallographica Section C 69(5) (2013) 560-564
Space group: R 3 :H
Cell volume: 2641.3
Cell parameters: 13.941; 13.941; 15.693; 90; 90; 120;

COD ID: 2023033

Formula: - C29 H40 N4 O8.961 -
Comments: Kaduk, James A.; Boaz, Nicholas C.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N. Omadacycline dihydrate, C29H40N4O7·2H2O, from X-ray powder diffraction data. Acta crystallographica. Section E, Crystallographic communications 80(Pt 3) (2024) 292-295
Space group: R 3 :H
Cell volume: 7468.81
Cell parameters: 24.3443; 24.3443; 14.55212; 90; 90; 120;

COD ID: 2100853
CIF file Original IUCr paper	Formula: - Cl11 N3 P4 - Comments: Belaj, F. Structures and electron density distributions of [Cl-P(NPCl~3~)~3~]^+^.Cl^{-^} and [Cl-P(NPCl~3~)~3~]^+^.PCl~6~^{-^}.1/2C~2~H~2~Cl~4~ at 100 K Acta Crystallographica Section B 48(5) (1992) 598-604 Space group: R 3 :H Cell volume: 1378.5 Cell parameters: 10.6; 10.6; 14.167; 90; 90; 120;

COD ID: 2101404
CIF file Original IUCr paper	Formula: - Cd P S3 - Comments: Boucher, F.; Evain, M.; Brec, R. Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~ Acta Crystallographica Section B 51(6) (1995) 952-961 Space group: R 3 :H Cell volume: 654 Cell parameters: 6.224; 6.224; 19.49; 90; 90; 120;

COD ID: 2103124
CIF file Original IUCr paper	Formula: - C50 H121 Al3 F10 Li4 O5 Si9 - Comments: Herbst-Irmer, Regine; Sheldrick, George M. Refinement of obverse/reverse twins Acta Crystallographica, Section B: Structural Science 58(3) (2002) 477-481 Space group: R 3 :H Cell volume: 5857.9 Cell parameters: 14.899; 14.899; 30.472; 90; 90; 120;

COD ID: 2105409
CIF file	Formula: - B3 Cl6 N3 - Comments: Groeneveld, W.L.; Verschoor, G.C.; Haasnoot, J.G.; Romers, C. On the crystal and molecular structure of hexachloroborazine Acta Crystallographica B (24,1968-38,1982) 28 (1972) 2070-2073 Space group: R 3 :H Cell volume: 699.591 Cell parameters: 8.847; 8.847; 10.321; 90; 90; 120;

COD ID: 2106456
CIF file	Formula: - H12 N3 O12 Sc Se3 - Comments: Valkonen, J.; Niinisto, L. Triammonium scandium selenate Acta Crystallographica B (24,1968-38,1982) 34 (1978) 266-268 Space group: R 3 :H Cell volume: 2071.58 Cell parameters: 15.567; 15.567; 9.871; 90; 90; 120;

COD ID: 2107150
CIF file	Formula: - Li5.04 O17.92 Ta6.16 - Comments: Santoro, A.; Roth, R.S.; Austin, M. Powder neutron diffraction study of the nonstoichiometric solid solution of lithium tantalate (Li Ta O3)9 (Ta2 O5) Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1094-1098 Space group: R 3 :H Cell volume: 317.547 Cell parameters: 5.1576; 5.1576; 13.7842; 90; 90; 120;

COD ID: 2201632

Formula: - C12 H30 N2 O7 -
Comments: Kemmitt, Tim; Gainsford, Graeme J.; Steel, Peter J.; Wikaira, Jan Four-centre hydrogen bonds: a triethanolamine‒triethanolamine oxide complex Acta Crystallographica Section E 58(8) (2002) o851-o852
Space group: R 3 :H
Cell volume: 1214.4
Cell parameters: 12.065; 12.065; 9.633; 90; 90; 120;

COD ID: 2204397

Formula: - C12 H24 Cl2 N6 S3 Zn -
Comments: Hai Qing Sun; Wen Tao Yu; Duo Rong Yuan; Xin Qing Wang; Gang, Xue Tris(allylthiourea-κS)chlorozinc(II) chloride Acta Crystallographica Section E 60(10) (2004) m1431-m1433
Space group: R 3 :H
Cell volume: 1696.24
Cell parameters: 11.0498; 11.0498; 16.0416; 90; 90; 120;

COD ID: 2207374

Formula: - Cs4 Se9 Sn3 Sr -
Comments: Tobias van Almsick; William S. Sheldrick Tetracaesium strontium catena-nonaselenidotristannate(IV) Acta Crystallographica Section E 61(11) (2005) i225-i227
Space group: R 3 :H
Cell volume: 1770.3
Cell parameters: 14.528; 14.528; 9.685; 90; 90; 120;

COD ID: 2208270

Formula: - C24.67 H33.67 F O6.67 -
Comments: Jeß, Inke; Näther, Christian Triamcinolone acetonide methanol 0.67-solvate at 170 K Acta Crystallographica Section E 62(3) (2006) o960-o962
Space group: R 3 :H
Cell volume: 4985.3
Cell parameters: 17.857; 17.857; 18.0528; 90; 90; 120;

COD ID: 2211031

Formula: - Ni3 O6 Te -
Comments: Becker, Richard; Berger, Helmuth Reinvestigation of Ni~3~TeO~6~ Acta Crystallographica Section E 62(11) (2006) i222-i223
Space group: R 3 :H
Cell volume: 311.17
Cell parameters: 5.1087; 5.1087; 13.767; 90; 90; 120;

COD ID: 2211439

Formula: - C16 H14 Cl2 O3 -
Comments: Zhen, Xiao-Li; Han, Jian-Rong; Wang, Qun-Tao; Tian, Xia; Liu, Shou-Xin 4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde Acta Crystallographica Section E 62(12) (2006) o5794-o5795
Space group: R 3 :H
Cell volume: 3528
Cell parameters: 19.849; 19.849; 10.34; 90; 90; 120;

COD ID: 2213999

Formula: - C31 H34 O8 -
Comments: Zi-Jie Liu; Dong Han; Lin-Na Wang; Xiang-Bao Meng; Zhong-Jun Li 1,5-Di-O-acetyl-2,3,4-tri-O-benzyl-α-D-mannopyranoside Acta Crystallographica Section E 63(6) (2007) o2975-o2975
Space group: R 3 :H
Cell volume: 6705.3
Cell parameters: 24.001; 24.001; 13.441; 90; 90; 120;

COD ID: 2215550

Formula: - C12 H24 N3 O12 Tb -
Comments: Kameshwar, Prashant M.; Wadawale, Amey; Ajgaonkar, Vishnu R. Tris(N-acetylglycinato-κ^2^O,O')triaquaterbium(III) Acta Crystallographica Section E 63(10) (2007) m2584-m2584
Space group: R 3 :H
Cell volume: 1411
Cell parameters: 16.54; 16.54; 5.9554; 90; 90; 120;

COD ID: 2215551

Formula: - C12 H24 N3 O12 Sm -
Comments: Kameshwar, Prashant M.; Wadawale, Amey; Ajgaonkar, Vishnu R. Tris(N-acetylglycinato-κ^2^O,O')triaquasamarium(III) Acta Crystallographica Section E 63(10) (2007) m2598-m2598
Space group: R 3 :H
Cell volume: 1423.2
Cell parameters: 16.58; 16.58; 5.978; 90; 90; 120;

COD ID: 2218160

Formula: - C108 H76 Fe4 N18 O42 W12 -
Comments: Ma, Feng-Xia; Chen, Ya-Guang; Shi, Dong-Mei Tris[tris(1,10-phenanthroline-κ^2^N,N')iron(II)] dodecatungstoferrate dihydrate Acta Crystallographica Section E 64(5) (2008) m672
Space group: R 3 :H
Cell volume: 9392
Cell parameters: 25.088; 25.088; 17.231; 90; 90; 120;

COD ID: 2220799

Formula: - C21 H21 Cl Sn -
Comments: Ng, Seik Weng Low-temperature redetermination of tribenzylchloridotin(IV) Acta Crystallographica Section E 65(2) (2009) m238
Space group: R 3 :H
Cell volume: 2856.23
Cell parameters: 16.7985; 16.7985; 11.6875; 90; 90; 120;

COD ID: 2222312

Formula: - C45 H34 B Br N6 Ni -
Comments: Harding, David J.; Harding, Phimphaka; Adams, Harry [Tris(3,5-diphenylpyrazolyl)hydroborato]nickel(II) bromide Acta Crystallographica Section E 65(7) (2009) m773
Space group: R 3 :H
Cell volume: 2752
Cell parameters: 12.8227; 12.8227; 19.327; 90; 90; 120;

COD ID: 2225315

Formula: - C13 H21 N3 O6 -
Comments: Jenkinson, Sarah F.; Lenagh-Snow, Gabriel M. J.; Izumori, Ken; Fleet, George W. J.; Watkin, David J.; Thompson, Amber L. 2-Azido-3,4;6,7-di-O-isopropylidene-α-D-glycero-D-talo-heptopyranose Acta Crystallographica Section E 66(3) (2010) o525-o526
Space group: R 3 :H
Cell volume: 3726.83
Cell parameters: 16.8793; 16.8793; 15.1043; 90; 90; 120;

COD ID: 2227936

Formula: - C21 H15 Bi O6 -
Comments: Tumanov, Nikolay A.; Timakova, Evgenia V.; Boldyreva, Elena V. Tribenzoatobismuth(III): a new polymorph Acta Crystallographica Section E 66(10) (2010) m1248
Space group: R 3 :H
Cell volume: 1357.5
Cell parameters: 19.5608; 19.5608; 4.0967; 90; 90; 120;

COD ID: 2229317

Formula: - C18 H25.67 N O5.33 -
Comments: Chakka, Sai Kumar; McKay, Michael G.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M. [(1R,3S)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol 2.33-hydrate Acta Crystallographica Section E 67(3) (2011) o700
Space group: R 3 :H
Cell volume: 3926.3
Cell parameters: 27.95; 27.95; 5.8035; 90; 90; 120;

COD ID: 2229407

Formula: - C18 H12 Br5 Fe2 N6 S6 -
Comments: Abedi, Anita; Amani, Vahid; Safari, Nasser Tris(4,4'-bi-1,3-thiazole-κ^2^N,N')iron(II) tetrabromidoferrate(III) bromide Acta Crystallographica Section E 67(3) (2011) m311-m312
Space group: R 3 :H
Cell volume: 2229.7
Cell parameters: 12.0638; 12.0638; 17.6907; 90; 90; 120;

COD ID: 2230124

Formula: - C12 H24 Br2 N6 S3 Zn -
Comments: Sun, Hai-Qing; Wang, Xin-Qiang; Jin, Tao Tris(allylthiourea-κS)bromidozinc(II) bromide Acta Crystallographica Section E 67(5) (2011) m543
Space group: R 3 :H
Cell volume: 1622.19
Cell parameters: 11.3591; 11.3591; 14.5172; 90; 90; 120;

COD ID: 2232871

Formula: - C55 H59 O7 S9 Tb -
Comments: Veith, Michael; Belot, Celine; Huch, Volker Tris(tetrahydrofuran-κO)tris[tris(thiophen-2-yl)methanolato-κO]terbium(III) tetrahydrofuran monosolvate Acta Crystallographica Section E 67(12) (2011) m1712
Space group: R 3 :H
Cell volume: 4137.2
Cell parameters: 13.9131; 13.9131; 24.6789; 90; 90; 120;

COD ID: 2236919
CIF file Original IUCr paper	Formula: - C57 H45 N3 O3 P3 S3 Tb - Comments: Pham, Lam N.; Thames, Anthony T.; White, Frankie D.; Xiang, Kang Rui; Sykora, Richard E. Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III) Acta Crystallographica Section E 68(12) (2012) m1531 Space group: R 3 :H Cell volume: 16058.8 Cell parameters: 38.6774; 38.6774; 12.3956; 90; 90; 120;

COD ID: 2240921
CIF file	Formula: - Cs4 Se9 Sn3 Sr - Comments: Van Almsick, T.; Sheldrick, W. S. Tetracesium strontium catena-nona-selenidotristannate(IV) Acta Crystallographica Section E 61(11) (2005) i225-i227 Space group: R 3 :H Cell volume: 786.737 Cell parameters: 9.685; 9.685; 9.685; 90; 90; 120;

COD ID: 2241111

Formula: - C36 H77 Ce2 N15 Ni6 O37 -
Comments: Bezzubov, Stanislav I.; Doljenko, Vladimir D.; Churakov, Andrei V.; Zharinova, Irina S.; Kiselev, Yuri M. Crystal structure of an unknown solvate of dodecakis(μ~2~-alaninato-1:2κ^2^O:N,O)cerium(III)hexanickel(II) aquatris(hydroxido-κO)tris(nitrato-κ^2^O,O')cerate(III) Acta Crystallographica Section E 71(10) (2015) m183-m184
Space group: R 3 :H
Cell volume: 5899.7
Cell parameters: 14.6418; 14.6418; 31.7767; 90; 90; 120;

COD ID: 2310679
CIF file	Formula: - Fe4 H5 O9 Si - Comments: Steadman, R.; Nuttall, P.M. Polymorphism in cronstedtite Acta Crystallographica (1,1948-23,1967) 16 (1963) 1-8 Space group: R 3 :H Cell volume: 1109.34 Cell parameters: 5.49; 5.49; 42.5; 90; 90; 120;

COD ID: 2311998

Formula: - C63 H63 Eu O27 -
Comments: Han, Mei Rong; Li, Shao Dong; Ma, Ling; Yao, Bang; Feng, Si Si; Zhu, Miao Li Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium. Acta crystallographica. Section C, Structural chemistry 75(Pt 9) (2019) 1220-1227
Space group: R 3 :H
Cell volume: 4881.5
Cell parameters: 27.194; 27.194; 7.6221; 90; 90; 120;

COD ID: 4000730
CIF file	Formula: - C90 H60 Ag6 F18 N24 O24 S6 - Comments: Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods Chemistry of Materials 23(6) (2011) 1505 Space group: R 3 :H Cell volume: 8055.6 Cell parameters: 30.319; 30.319; 10.119; 90; 90; 120;

COD ID: 4001680
CIF file	Formula: - Cd4 Cs Ga5 S12 - Comments: Lin, Hua; Zhou, Liu-Jiang; Chen, Ling Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs) Chemistry of Materials 24(17) (2012) 3406 Space group: R 3 :H Cell volume: 1564.26 Cell parameters: 13.8639; 13.8639; 9.3974; 90; 90; 120;

COD ID: 4001681
CIF file	Formula: - Cd4 Ga5 Rb S12 - Comments: Lin, Hua; Zhou, Liu-Jiang; Chen, Ling Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs) Chemistry of Materials 24(17) (2012) 3406 Space group: R 3 :H Cell volume: 1543.51 Cell parameters: 13.8071; 13.8071; 9.3492; 90; 90; 120;

COD ID: 4001682
CIF file	Formula: - Cd4 Ga5 K S12 - Comments: Lin, Hua; Zhou, Liu-Jiang; Chen, Ling Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs) Chemistry of Materials 24(17) (2012) 3406 Space group: R 3 :H Cell volume: 1536.71 Cell parameters: 13.7905; 13.7905; 9.3304; 90; 90; 120;

COD ID: 4001994

Formula: - C96 H118 Cl5 Cu3 N25 O43 P6 -
Comments: Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties Chemistry of Materials 26(12) (2014) 3811
Space group: R 3 :H
Cell volume: 8998.1
Cell parameters: 20.399; 20.399; 24.969; 90; 90; 120;

COD ID: 4001997

Formula: - C65 H78 Cl4 Cu2 N16 O28 P4 -
Comments: Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties Chemistry of Materials 26(12) (2014) 3811
Space group: R 3 :H
Cell volume: 18352
Cell parameters: 20.565; 20.565; 50.106; 90; 90; 120;

COD ID: 4002256
CIF file	Formula: - Li0.275 Ni0.725 O - Comments: Monge, M.A.; Gutierrez-Puebla, E.; Martinez, J.L.; Campa, J.A.; Rasines, I. Cation distribution in lithium nickel oxide crystals Chemistry of Materials (1,1989-) 12 (2000) 2001-2007 Space group: R 3 :H Cell volume: 462.177 Cell parameters: 6.02; 6.02; 14.726; 90; 90; 120;

COD ID: 4002706
CIF file	Formula: - Cs Ga Se6 Sn2 - Comments: Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit Chemistry of Materials 29(2) (2017) 499 Space group: R 3 :H Cell volume: 913.85 Cell parameters: 10.518; 10.518; 9.5385; 90; 90; 120;

COD ID: 4002707
CIF file	Formula: - Cs In Se6 Sn2 - Comments: Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit Chemistry of Materials 29(2) (2017) 499 Space group: R 3 :H Cell volume: 952 Cell parameters: 10.652; 10.652; 9.6882; 90; 90; 120;

COD ID: 4002826
CIF file	Formula: - Ba6 Ga2 S16 Zn7 - Comments: Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties Chemistry of Materials 29(12) (2017) 5259 Space group: R 3 :H Cell volume: 2233.5 Cell parameters: 9.7723; 9.7723; 27.006; 90; 90; 120;

COD ID: 4002844

Formula: - Ga5 Hg4 K Se12 -
Comments: Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response Chemistry of Materials 29(18) (2017) 7993
Space group: R 3 :H
Cell volume: 1723.7
Cell parameters: 14.3203; 14.3203; 9.7057; 90; 90; 120;

COD ID: 4020076
CIF file	Formula: - C73 H80 Cl2 N2 O P2 Ru - Comments: Helen L. Ngo; Wenbin Lin Journal of Organic Chemistry 70 (2005) 1177-1187 Space group: R 3 :H Cell volume: 28606 Cell parameters: 24.32; 24.32; 55.8; 90; 90; 120;

COD ID: 4022248
CIF file	Formula: - C17 H26 N O3 S - Comments: Tony P. Tang; Jonathan A. Ellman Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines Journal of Organic Chemistry 67 (2002) 7819-7832 Space group: R 3 :H Cell volume: 4147.1 Cell parameters: 20.698; 20.698; 11.1777; 90; 90; 120;

COD ID: 4023258
CIF file	Formula: - C36 H63 N15 O9 - Comments: Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides Journal of Organic Chemistry 73 (2008) 1306-1310 Space group: R 3 :H Cell volume: 3991.3 Cell parameters: 18.518; 18.518; 13.44; 90; 90; 120;

COD ID: 4023275

Formula: - C46 H51 Cl6 O6 S12 -
Comments: Yangping Liu; Frederick A. Villamena; Jian Sun; Yingkai Xu; Ilirian Dhimitruka; Jay L. Zweier Synthesis and Characterization of Ester-Derivatized Tetrathiatriarylmethyl Radicals as Intracellular Oxygen Probes Journal of Organic Chemistry 73 (2008) 1490-1497
Space group: R 3 :H
Cell volume: 4430.7
Cell parameters: 21.2273; 21.2273; 11.3541; 90; 90; 120;

COD ID: 4024044

Formula: - C28 H30 O11 S -
Comments: Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond Journal of Organic Chemistry 72 (2007) 5523-5533
Space group: R 3 :H
Cell volume: 6410.4
Cell parameters: 27.9054; 27.9054; 9.5055; 90; 90; 120;

COD ID: 4024616
CIF file	Formula: - C31 H42 I N3 O5 - Comments: Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives Journal of Organic Chemistry 74 (2009) 4655-4665 Space group: R 3 :H Cell volume: 15343.4 Cell parameters: 44.8052; 44.8052; 8.8254; 90; 90; 120;

COD ID: 4026557
CIF file	Formula: - C33 H39 N9 O9 - Comments: Martin R. Krause; Richard Goddard; Stefan Kubik Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits Journal of Organic Chemistry 76 (2011) 7084-7095 Space group: R 3 :H Cell volume: 2662.4 Cell parameters: 14.2352; 14.2352; 15.1711; 90; 90; 120;

COD ID: 4026863

Formula: - C41 H51.17 N5 O14.33 P2.5 -
Comments: Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar Fluorescent Acridine-Based Receptors for H2PO4- Journal of Organic Chemistry 77 (2012) 490-500
Space group: R 3 :H
Cell volume: 9689.7
Cell parameters: 30.4865; 30.4865; 12.0383; 90; 90; 120;

COD ID: 4030119

Formula: - C15 H19 N O4 -
Comments: Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E. Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids. The Journal of organic chemistry 79(22) (2014) 10932-10944
Space group: R 3 :H
Cell volume: 3402.74
Cell parameters: 25.9883; 25.9883; 5.81758; 90; 90; 120;

COD ID: 4035592

Formula: - C109 H103 Cl3 O24 -
Comments: Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity. The Journal of organic chemistry 83(15) (2018) 8522-8532
Space group: R 3 :H
Cell volume: 6901.08
Cell parameters: 30.9223; 30.9223; 8.3338; 90; 90; 120;

COD ID: 4037249

Formula: - C20 H23 N O2 Si -
Comments: Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction. The Journal of organic chemistry 81(22) (2016) 10759-10768
Space group: R 3 :H
Cell volume: 4257
Cell parameters: 26.426; 26.426; 7.039; 90; 90; 120;

COD ID: 4037469

Formula: - C19 H15 Br N2 O3 -
Comments: Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams. The Journal of organic chemistry 82(7) (2017) 3908-3916
Space group: R 3 :H
Cell volume: 4610.7
Cell parameters: 20.8688; 20.8688; 12.2249; 90; 90; 120;

COD ID: 4037899
CIF file	Formula: - C33 H33 Cl3 D I3 O3 - Comments: Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes. The Journal of organic chemistry (2020) Space group: R 3 :H Cell volume: 2654.07 Cell parameters: 11.2613; 11.2613; 24.166; 90; 90; 120;

COD ID: 4037902
CIF file	Formula: - C33 H34 Cl3 I3 O3 - Comments: Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes. The Journal of organic chemistry (2020) Space group: R 3 :H Cell volume: 2661 Cell parameters: 11.2774; 11.2774; 24.1597; 90; 90; 120;

COD ID: 4065620
CIF file	Formula: - C36 H75 Li3 N6 - Comments: Gessner, Viktoria H.; Strohmann, Carsten Lithiation of Diamine Ligands to Chiral Building Blocks: Syntheses, Selectivities, and Lithiated Intermediates Organometallics 29(7) (2010) 1858 Space group: R 3 :H Cell volume: 2971 Cell parameters: 19.546; 19.546; 8.9796; 90; 90; 120;

COD ID: 4066268
CIF file	Formula: - C18 H48 Ge4 Si - Comments: Hlina, Johann; Baumgartner, Judith; Marschner, Christoph Polygermane Building Blocks† Organometallics 29(21) (2010) 5289 Space group: R 3 :H Cell volume: 2002.9 Cell parameters: 14.591; 14.591; 10.863; 90; 90; 120;

COD ID: 4066277
CIF file	Formula: - C22 H57 Li4 N9 - Comments: Kamps, Ina; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. A Chain Aggregate of Methyllithium Tetramers† Organometallics 29(21) (2010) 4746 Space group: R 3 :H Cell volume: 4908.8 Cell parameters: 21.3969; 21.3969; 12.3807; 90; 90; 120;

COD ID: 4070991
CIF file	Formula: - C57 H129 Ca3 N3 O9 Si6 - Comments: He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W. Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies Organometallics 27(13) (2008) 3094 Space group: R 3 :H Cell volume: 5706.07 Cell parameters: 17.8268; 17.8268; 20.7329; 90; 90; 120;

COD ID: 4071837
CIF file	Formula: - C14 H16 B N7 O3 S3 W - Comments: Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D. Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten Organometallics 27(17) (2008) 4455 Space group: R 3 :H Cell volume: 3142.81 Cell parameters: 14.2437; 14.2437; 17.8872; 90; 90; 120;

COD ID: 4074872
CIF file	Formula: - C50 H47 B Cl F4 N O P2 Pt Se - Comments: Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations Organometallics 25(5) (2006) 1259-1269 Space group: R 3 :H Cell volume: 21913.1 Cell parameters: 21.6188; 21.6188; 54.139; 90; 90; 120;

COD ID: 4076210
CIF file	Formula: - C18 H48 Si4 Sn - Comments: Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics 24(26) (2005) 6450 Space group: R 3 :H Cell volume: 2039.8 Cell parameters: 14.617; 14.617; 11.024; 90; 90; 120;

COD ID: 4076212
CIF file	Formula: - C18 H48 Ge Si4 - Comments: Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics 24(26) (2005) 6450 Space group: R 3 :H Cell volume: 2044.8 Cell parameters: 14.714; 14.714; 10.906; 90; 90; 120;

COD ID: 4076217
CIF file	Formula: - C18 H48 Si4 Sn - Comments: Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics 24(26) (2005) 6450 Space group: R 3 :H Cell volume: 2046.3 Cell parameters: 14.663; 14.663; 10.99; 90; 90; 120;

COD ID: 4076218
CIF file	Formula: - C18 H48 Ge Si3 Sn - Comments: Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics 24(26) (2005) 6450 Space group: R 3 :H Cell volume: 2062.7 Cell parameters: 14.701; 14.701; 11.021; 90; 90; 120;

COD ID: 4076219
CIF file	Formula: - C18 H54 Ge Si6 Sn - Comments: Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics 24(26) (2005) 6450 Space group: R 3 :H Cell volume: 2650.5 Cell parameters: 16.257; 16.257; 11.58; 90; 90; 120;

COD ID: 4077020
CIF file	Formula: - C8 H19 Cl Cu N2 O2 - Comments: Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity Organometallics 21(21) (2002) 4513 Space group: R 3 :H Cell volume: 5131.7 Cell parameters: 20.776; 20.776; 13.728; 90; 90; 120;

COD ID: 4079035
CIF file	Formula: - C30 H50 Br11 Cu8 N3 O - Comments: Ye, Qiong; Liu, Ming-Liang; Chen, Zi-Qi; Sun, Su-Wen; Xiong, Ren-Gen Solvothermal Syntheses and Physical Properties of Noncentrosymmetric Olefin‒Copper(I) Coordination Compounds Organometallics 31(22) (2012) 7862 Space group: R 3 :H Cell volume: 3735.1 Cell parameters: 12.125; 12.125; 29.3362; 90; 90; 120;

COD ID: 4079096

Formula: - C76 H60 N2 Ni O6 P2 -
Comments: Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano “Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms Organometallics 31(17) (2012) 6162
Space group: R 3 :H
Cell volume: 16450.7
Cell parameters: 37.5195; 37.5195; 13.494; 90; 90; 120;

COD ID: 4079561

Formula: - C26 H17 Fe2 N O5 S -
Comments: Hirotsu, Masakazu; Santo, Kiyokazu; Hashimoto, Hideki; Kinoshita, Isamu Carbon- and Sulfur-Bridged Diiron Carbonyl Complexes Containing N,C,S-Tridentate Ligands Derived from Functionalized Dibenzothiophenes: Mimics of the [FeFe]-Hydrogenase Active Site Organometallics 31(21) (2012) 7548
Space group: R 3 :H
Cell volume: 11327
Cell parameters: 39.0863; 39.0863; 8.5612; 90; 90; 120;

COD ID: 4085634

Formula: - C29 H27 Cl F N3 O -
Comments: Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis Organometallics (2015) 150320082744001
Space group: R 3 :H
Cell volume: 11452.7
Cell parameters: 32.2621; 32.2621; 12.7055; 90; 90; 120;

COD ID: 4085638

Formula: - C38 H43 Ag Cl N3 -
Comments: Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis Organometallics (2015) 150320082744001
Space group: R 3 :H
Cell volume: 15442
Cell parameters: 32.156; 32.156; 17.2446; 90; 90; 120;

COD ID: 4085640

Formula: - C38 H43 Au Cl N3 -
Comments: Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis Organometallics (2015) 150320082744001
Space group: R 3 :H
Cell volume: 15546
Cell parameters: 32.367; 32.367; 17.135; 90; 90; 120;

COD ID: 4085938
CIF file	Formula: - C34 H58 Fe N4 - Comments: Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study Organometallics 34(12) (2015) 2775 Space group: R 3 :H Cell volume: 9031.1 Cell parameters: 27.826; 27.826; 13.4682; 90; 90; 120;

COD ID: 4087862
CIF file	Formula: - C60 H54 Au3 N3 O40 P4 W12 - Comments: Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts Organometallics 34(20) (2015) 5065 Space group: R 3 :H Cell volume: 6260 Cell parameters: 19.364; 19.364; 19.277; 90; 90; 120;

COD ID: 4087863
CIF file	Formula: - C60 H54 Au3 Mo12 N3 O40 P4 - Comments: Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts Organometallics 34(20) (2015) 5065 Space group: R 3 :H Cell volume: 6195.9 Cell parameters: 19.2972; 19.2972; 19.2127; 90; 90; 120;

COD ID: 4088789
CIF file	Formula: - C72 H90 Li12 N6 - Comments: Flynn, Matthew T.; Stott, Rachel; Blair, Victoria L.; Andrews, Philip C. Loss of Chirality through Facile Lewis Base Mediated Aza-enolate Formation in Na and K (S)-N-(α-Methylbenzyl)methallylamides Organometallics 35(16) (2016) 2707 Space group: R 3 :H Cell volume: 5139.07 Cell parameters: 25.7286; 25.7286; 8.9644; 90; 90; 120;

COD ID: 4101687
CIF file	Formula: - C36 H38 B F12 P - Comments: Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W. Reversible, metal-free, heterolytic activation of H2 at room temperature. Journal of the American Chemical Society 131(1) (2009) 52-53 Space group: R 3 :H Cell volume: 2483 Cell parameters: 16.964; 16.964; 9.963; 90; 90; 120;

COD ID: 4102169

Formula: - C168 H222 Cl4 Mn25 N15 O112 -
Comments: Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties Journal of the American Chemical Society 132 (2010) 4044-4045
Space group: R 3 :H
Cell volume: 20736
Cell parameters: 26.847; 26.847; 33.221; 90; 90; 120;

COD ID: 4102170

Formula: - C168 H222 Cl4 Mn25 N15 O112 -
Comments: Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties Journal of the American Chemical Society 132 (2010) 4044-4045
Space group: R 3 :H
Cell volume: 20888
Cell parameters: 26.933; 26.933; 33.251; 90; 90; 120;

COD ID: 4103410

Formula: - C180 Cl6 Mn6 N12 O38 Zn8 -
Comments: Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society 132 (2010) 15390-15398
Space group: R 3 :H
Cell volume: 54927.1
Cell parameters: 29.585; 29.585; 72.4624; 90; 90; 120;

COD ID: 4103412

Formula: - C204 Cl6 Mn6 N12 O38 Zn8 -
Comments: Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society 132 (2010) 15390-15398
Space group: R 3 :H
Cell volume: 98034
Cell parameters: 35.884; 35.884; 87.911; 90; 90; 120;

COD ID: 4103413

Formula: - C252 Cl6 Mn6 N12 O38 Zn8 -
Comments: Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society 132 (2010) 15390-15398
Space group: R 3 :H
Cell volume: 152667
Cell parameters: 41.9263; 41.9263; 100.286; 90; 90; 120;

COD ID: 4104069
CIF file	Formula: - C93 H81 O9 P - Comments: Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis Journal of the American Chemical Society 131 (2009) 4136-4142 Space group: R 3 :H Cell volume: 5336.5 Cell parameters: 23.9458; 23.9458; 10.7465; 90; 90; 120;

COD ID: 4104070
CIF file	Formula: - C93 H81 O9 P - Comments: Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis Journal of the American Chemical Society 131 (2009) 4136-4142 Space group: R 3 :H Cell volume: 5294 Cell parameters: 23.8503; 23.8503; 10.7465; 90; 90; 120;

COD ID: 4105112

Formula: - C46 H67 N11 O6 -
Comments: Clémence Mocquet; Arnaud Salaün; Paul Claudon; Barbara Le Grel; Michel Potel; Gilles Guichard; Brigitte Jamart-Grégoire; Philippe Le Grel Aza-β3-cyclopeptides: A New Way of Controlling Nitrogen Chirality Journal of the American Chemical Society 131 (2009) 14521-14525
Space group: R 3 :H
Cell volume: 3743.2
Cell parameters: 25.421; 25.421; 6.6885; 90; 90; 120;

COD ID: 4105593

Formula: - C81 H116 B6 F24 N18 O22 Pd3 -
Comments: Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes Journal of the American Chemical Society 133 (2011) 1236-1239
Space group: R 3 :H
Cell volume: 8308.8
Cell parameters: 15.5209; 15.5209; 39.8268; 90; 90; 120;

COD ID: 4105594

Formula: - C81 H116 Cl6 N18 O47 Pd3 -
Comments: Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes Journal of the American Chemical Society 133 (2011) 1236-1239
Space group: R 3 :H
Cell volume: 8490.55
Cell parameters: 15.5257; 15.5257; 40.6727; 90; 90; 120;

COD ID: 4105637

Formula: - C17 H14.67 F N O3.33 -
Comments: Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction Journal of the American Chemical Society 133 (2011) 1710-1713
Space group: R 3 :H
Cell volume: 3294
Cell parameters: 25.205; 25.205; 5.987; 90; 90; 120;

COD ID: 4105819
CIF file	Formula: - C49 H78 Fe Na O4 P3 Si - Comments: Yunho Lee; Jonas C. Peters Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne Journal of the American Chemical Society 133 (2011) 4438-4446 Space group: R 3 :H Cell volume: 3632.4 Cell parameters: 17.9012; 17.9012; 13.0887; 90; 90; 120;

COD ID: 4106951

Formula: - C120 H97 N12 O0.5 -
Comments: Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages Journal of the American Chemical Society 133 (2011) 16566-16571
Space group: R 3 :H
Cell volume: 16196
Cell parameters: 29.29; 29.29; 21.799; 90; 90; 120;

COD ID: 4106952

Formula: - C120 H96 N12 -
Comments: Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages Journal of the American Chemical Society 133 (2011) 16566-16571
Space group: R 3 :H
Cell volume: 8314
Cell parameters: 29.494; 29.494; 11.036; 90; 90; 120;

COD ID: 4106953

Formula: - C120 H96 N17 -
Comments: Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages Journal of the American Chemical Society 133 (2011) 16566-16571
Space group: R 3 :H
Cell volume: 8022
Cell parameters: 29.175; 29.175; 10.882; 90; 90; 120;

COD ID: 4106954

Formula: - C124.5 H89.5 Cl13.5 F12 N12 O0.5 -
Comments: Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages Journal of the American Chemical Society 133 (2011) 16566-16571
Space group: R 3 :H
Cell volume: 17463
Cell parameters: 30.587; 30.587; 21.553; 90; 90; 120;

COD ID: 4107036

Formula: - C20 H23 F3 O6 -
Comments: Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes Journal of the American Chemical Society 133 (2011) 17494-17503
Space group: R 3 :H
Cell volume: 4817
Cell parameters: 26.422; 26.422; 7.967; 90; 90; 120;

COD ID: 4107655
CIF file	Formula: - C252 H300 N24 O18 Zn6 - Comments: Gao Li; Weibin Yu; Yong Cui A Homochiral Nanotubular Crystalline Framework of Metallomacrocycles for Enantioselective Recognition and Separation Journal of the American Chemical Society 130 (2008) 4582-4583 Space group: R 3 :H Cell volume: 17783 Cell parameters: 44.861; 44.861; 10.203; 90; 90; 120;

COD ID: 4107656
CIF file	Formula: - C258 H324 N24 O18 Zn6 - Comments: Gao Li; Weibin Yu; Yong Cui A Homochiral Nanotubular Crystalline Framework of Metallomacrocycles for Enantioselective Recognition and Separation Journal of the American Chemical Society 130 (2008) 4582-4583 Space group: R 3 :H Cell volume: 18244.3 Cell parameters: 45.037; 45.037; 10.3862; 90; 90; 120;

COD ID: 4107784
CIF file	Formula: - C15 H11 N O2 - Comments: Shui-Ming Lu; Howard Alper Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams Journal of the American Chemical Society 130 (2008) 6451-6455 Space group: R 3 :H Cell volume: 2678.7 Cell parameters: 19.435; 19.435; 8.189; 90; 90; 120;

COD ID: 4107786
CIF file	Formula: - C15 H13 N O2 - Comments: Shui-Ming Lu; Howard Alper Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams Journal of the American Chemical Society 130 (2008) 6451-6455 Space group: R 3 :H Cell volume: 2771.1 Cell parameters: 19.8173; 19.8173; 8.1477; 90; 90; 120;

COD ID: 4109572
CIF file	Formula: - C76 H62 Cu2 N10 O7 - Comments: Jungseok Heo; You-Moon Jeon; Chad A. Mirkin Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers Journal of the American Chemical Society 129 (2007) 7712-7713 Space group: R 3 :H Cell volume: 16075.9 Cell parameters: 27.7103; 27.7103; 24.1747; 90; 90; 120;

COD ID: 4109573
CIF file	Formula: - C76 H61.33 Cu2 N10 O6.67 - Comments: Jungseok Heo; You-Moon Jeon; Chad A. Mirkin Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers Journal of the American Chemical Society 129 (2007) 7712-7713 Space group: R 3 :H Cell volume: 16146 Cell parameters: 27.7575; 27.7575; 24.198; 90; 90; 120;

COD ID: 4112861
CIF file	Formula: - C38 H77 Li6 N6 O6 - Comments: Carsten Strohmann; Timo Seibel; Daniel Schildbach The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium Journal of the American Chemical Society 126 (2004) 9876-9877 Space group: R 3 :H Cell volume: 3696.5 Cell parameters: 16.746; 16.746; 15.221; 90; 90; 120;

COD ID: 4112997
CIF file	Formula: - C69 H87 Cl6 N7 O12 S6 - Comments: Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions Journal of the American Chemical Society 126 (2004) 12395-12402 Space group: R 3 :H Cell volume: 6478.7 Cell parameters: 16.3404; 16.3404; 28.0178; 90; 90; 120;

COD ID: 4113336
CIF file	Formula: - C60 H81 Ir3 N6 O9 - Comments: Zacharias Grote; Rosario Scopelliti; Kay Severin pH-Triggered Assembly of Organometallic Receptors for Lithium Ions Journal of the American Chemical Society 126 (2004) 16959-16972 Space group: R 3 :H Cell volume: 4242 Cell parameters: 18.832; 18.832; 13.812; 90; 90; 120;

COD ID: 4113530

Formula: - C66 H90 N18 O48 Pr4 -
Comments: Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes Journal of the American Chemical Society 125 (2003) 2989-2996
Space group: R 3 :H
Cell volume: 6991.8
Cell parameters: 27.396; 27.3958; 10.7569; 90; 90; 120;

COD ID: 4113534

Formula: - C22.67 H28 Br2 N6 O16.33 Pr1.33 -
Comments: Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes Journal of the American Chemical Society 125 (2003) 2989-2996
Space group: R 3 :H
Cell volume: 7296.8
Cell parameters: 26.87; 26.8699; 11.6699; 90; 90; 120;

COD ID: 4113554

Formula: - C22 H30 Ce1.33 N6 O16 -
Comments: Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes Journal of the American Chemical Society 125 (2003) 2989-2996
Space group: R 3 :H
Cell volume: 7030
Cell parameters: 27.433; 27.439; 10.784; 90; 90; 120;

COD ID: 4115086
CIF file	Formula: - C41 H40 Cu N6 O9 S0.08 - Comments: Heba Abourahma; Brian Moulton; Victor Kravtsov; Michael J. Zaworotko Supramolecular Isomerism in Coordination Compounds: Nanoscale Molecular Hexagons and Chains Journal of the American Chemical Society 124 (2002) 9990-9991 Space group: R 3 :H Cell volume: 10592 Cell parameters: 35.023; 35.023; 9.9711; 90; 90; 120;

COD ID: 4115177
CIF file	Formula: - C15 H24 Cr N3 - Comments: Louise A. Berben; Jeffrey R. Long Synthesis and Alkali Metal Ion-Binding Properties of a Chromium(III) Triacetylide Complex Journal of the American Chemical Society 124 (2002) 11588-11589 Space group: R 3 :H Cell volume: 1173.23 Cell parameters: 13.7219; 13.7219; 7.1949; 90; 90; 120;

COD ID: 4116599

Formula: - C24 H54 N8 -
Comments: Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature Journal of the American Chemical Society 121 (1999) 10666-10667
Space group: R 3 :H
Cell volume: 2099.9
Cell parameters: 14.555; 14.555; 11.446; 90; 90; 120;

COD ID: 4117952

Formula: - C138 H120 N36 Ni4 O10 S -
Comments: Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions Journal of the American Chemical Society 134 (2012) 8525-8534
Space group: R 3 :H
Cell volume: 12795
Cell parameters: 27.4685; 27.4685; 19.581; 90; 90; 120;

COD ID: 4117953

Formula: - C138 H120 N39 Ni4 O38 P -
Comments: Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions Journal of the American Chemical Society 134 (2012) 8525-8534
Space group: R 3 :H
Cell volume: 12831.3
Cell parameters: 27.5237; 27.5237; 19.5581; 90; 90; 120;

COD ID: 4119243

Formula: - As3 H4 Mn N S6 -
Comments: Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework Journal of the American Chemical Society 135 (2013) 1256-1259
Space group: R 3 :H
Cell volume: 793.38
Cell parameters: 9.1872; 9.1872; 10.8539; 90; 90; 120;

COD ID: 4119435
CIF file	Formula: - C45 H69 F6 P Sb - Comments: Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations Journal of the American Chemical Society 135 (2013) 3414-3417 Space group: R 3 :H Cell volume: 3538.1 Cell parameters: 13.1739; 13.1739; 23.54; 90; 90; 120;

COD ID: 4120292

Formula: - C66 H66 N35 O17 -
Comments: Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers Journal of the American Chemical Society 135 (2013) 11760-11763
Space group: R 3 :H
Cell volume: 35771
Cell parameters: 39.136; 39.136; 26.968; 90; 90; 120;

COD ID: 4120423
CIF file	Formula: - Cd4 Ga5 K Se12 - Comments: Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12 Journal of the American Chemical Society 135 (2013) 12914-12921 Space group: R 3 :H Cell volume: 1737 Cell parameters: 14.362; 14.362; 9.724; 90; 90; 120;

COD ID: 4120424
CIF file	Formula: - Cd4 Ga5 Rb Se12 - Comments: Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12 Journal of the American Chemical Society 135 (2013) 12914-12921 Space group: R 3 :H Cell volume: 1755.6 Cell parameters: 14.4055; 14.4055; 9.7688; 90; 90; 120;

COD ID: 4120425
CIF file	Formula: - Cd4 Cs Ga5 Se12 - Comments: Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12 Journal of the American Chemical Society 135 (2013) 12914-12921 Space group: R 3 :H Cell volume: 1761.3 Cell parameters: 14.4204; 14.4204; 9.7803; 90; 90; 120;

COD ID: 4120426
CIF file	Formula: - Cd4 In5 Rb Se12 - Comments: Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12 Journal of the American Chemical Society 135 (2013) 12914-12921 Space group: R 3 :H Cell volume: 1918.09 Cell parameters: 14.827; 14.827; 10.0747; 90; 90; 120;

COD ID: 4120427
CIF file	Formula: - Cd4 Cs In5 Se12 - Comments: Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12 Journal of the American Chemical Society 135 (2013) 12914-12921 Space group: R 3 :H Cell volume: 1932.9 Cell parameters: 14.864; 14.864; 10.102; 90; 90; 120;

COD ID: 4120428
CIF file	Formula: - In5 Mn4 Rb Se12 - Comments: Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12 Journal of the American Chemical Society 135 (2013) 12914-12921 Space group: R 3 :H Cell volume: 1861.1 Cell parameters: 14.6793; 14.6793; 9.9732; 90; 90; 120;

COD ID: 4120429
CIF file	Formula: - Cs In5 Mn4 Se12 - Comments: Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12 Journal of the American Chemical Society 135 (2013) 12914-12921 Space group: R 3 :H Cell volume: 1877.2 Cell parameters: 14.7202; 14.7202; 10.0035; 90; 90; 120;

COD ID: 4121075

Formula: - C16 H39 Na O6 Si3 -
Comments: Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an "Inverse" Frustrated Lewis Pair Approach Journal of the American Chemical Society 135 (2013) 16066-16069
Space group: R 3 :H
Cell volume: 1858.4
Cell parameters: 15.31; 15.31; 9.155; 90; 90; 120;

COD ID: 4121366

Formula: - C444 H672 Ga4 K12 N24 O102 -
Comments: Chen Zhao; Qing-Fu Sun; William M. Hart-Cooper; Antonio G. DiPasquale; F. Dean Toste; Robert G. Bergman; Kenneth N. Raymond Chiral Amide Directed Assembly of a Diastereo- and Enantiopure Supramolecular Host and its Application to Enantioselective Catalysis of Neutral Substrates Journal of the American Chemical Society 135 (2013) 18802-18805
Space group: R 3 :H
Cell volume: 37915
Cell parameters: 25.5125; 25.5125; 67.262; 90; 90; 120;

COD ID: 4121371

Formula: - C20 H24 N2 -
Comments: Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles Journal of the American Chemical Society 135 (2013) 18706-18709
Space group: R 3 :H
Cell volume: 3843
Cell parameters: 21.29; 21.29; 9.79; 90; 90; 120;

COD ID: 4122810

Formula: - C347 H485 Dy12 N48 O83 -
Comments: D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I. Lanthanoid "bottlebrush" clusters: remarkably elongated metal-oxo core structures with controllable lengths. Journal of the American Chemical Society 136(43) (2014) 15122-15125
Space group: R 3 :H
Cell volume: 34948.1
Cell parameters: 39.2443; 39.2443; 26.2023; 90; 90; 120;

COD ID: 4123237
CIF file	Formula: - C147 H114 Au19 Cl6 F12 N3 O0 P6 Sb2 - Comments: Wan, Xian-Kai; Tang, Qing; Yuan, Shang-Fu; Jiang, De-En; Wang, Quan-Ming Au19 nanocluster featuring a v-shaped alkynyl-gold motif. Journal of the American Chemical Society 137(2) (2015) 652-655 Space group: R 3 :H Cell volume: 11396.6 Cell parameters: 20.323; 20.323; 31.8618; 90; 90; 120;

COD ID: 4123786

Formula: - C397 H585 Cl12 N51 O87 -
Comments: Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing Discrete stacking of aromatic oligoamide macrocycles. Journal of the American Chemical Society 137(18) (2015) 5879-5882
Space group: R 3 :H
Cell volume: 36662
Cell parameters: 26.577; 26.577; 59.934; 90; 90; 120;

COD ID: 4123787

Formula: - C396 H564 Cl9 N39 O87 -
Comments: Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing Discrete stacking of aromatic oligoamide macrocycles. Journal of the American Chemical Society 137(18) (2015) 5879-5882
Space group: R 3 :H
Cell volume: 35992
Cell parameters: 26.449; 26.449; 59.41; 90; 90; 120;

COD ID: 4125722
CIF file	Formula: - C252 H258 N30 O21 Zn6 - Comments: Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society 139(4) (2017) 1554-1564 Space group: R 3 :H Cell volume: 18896.9 Cell parameters: 43.652; 43.652; 11.4512; 90; 90; 120;

COD ID: 4125723
CIF file	Formula: - C228 H255 N24 O18 Zn6 - Comments: Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society 139(4) (2017) 1554-1564 Space group: R 3 :H Cell volume: 19009.2 Cell parameters: 43.9623; 43.9623; 11.3572; 90; 90; 120;

COD ID: 4125724
CIF file	Formula: - C252 H258 N24 O24 Zn6 - Comments: Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society 139(4) (2017) 1554-1564 Space group: R 3 :H Cell volume: 19017.3 Cell parameters: 43.6574; 43.6574; 11.5213; 90; 90; 120;

COD ID: 4125725
CIF file	Formula: - C234 H258 N24 O18 Zn6 - Comments: Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society 139(4) (2017) 1554-1564 Space group: R 3 :H Cell volume: 19343.4 Cell parameters: 43.7244; 43.7244; 11.683; 90; 90; 120;

COD ID: 4126202

Formula: - C16 H38 Cl3 N O7 Zn -
Comments: Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds. Journal of the American Chemical Society (2017)
Space group: R 3 :H
Cell volume: 1889.1
Cell parameters: 13.9622; 13.9622; 11.1895; 90; 90; 120;

COD ID: 4126209

Formula: - C180 H566 Cu24 N84 O253 -
Comments: Mon, Marta; Ferrando-Soria, Jesús; Verdaguer, Michel; Train, Cyrille; Paillard, Charles; Dkhil, Brahim; Versace, Carlo; Bruno, Rosaria; Armentano, Donatella; Pardo, Emilio Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal-Organic Frameworks. Journal of the American Chemical Society 139(24) (2017) 8098-8101
Space group: R 3 :H
Cell volume: 43915
Cell parameters: 38.2768; 38.2768; 34.6107; 90; 90; 120;

COD ID: 4129364
CIF file	Formula: - C20 H33 Cl O2 - Comments: Daub, Mary Elisabeth; Prudhomme, Jacques; Le Roch, Karine; Vanderwal, Christopher D. Synthesis and potent antimalarial activity of kalihinol B. Journal of the American Chemical Society 137(15) (2015) 4912-4915 Space group: R 3 :H Cell volume: 4555.3 Cell parameters: 29.89; 29.89; 5.8875; 90; 90; 120;

COD ID: 4130510

Formula: - C42 H66 B3 N3 O0.15 -
Comments: Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes. Journal of the American Chemical Society 138(26) (2016) 8212-8220
Space group: R 3 :H
Cell volume: 3061
Cell parameters: 15.57; 15.57; 14.579; 90; 90; 120;

COD ID: 4130518

Formula: - C17 H16 O -
Comments: Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization. Journal of the American Chemical Society 138(26) (2016) 8068-8071
Space group: R 3 :H
Cell volume: 6143.8
Cell parameters: 24.0701; 24.0701; 12.2447; 90; 90; 120;

COD ID: 4131624
CIF file	Formula: - C228 H216 N32 - Comments: Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties. Journal of the American Chemical Society 139(50) (2017) 18142-18145 Space group: R 3 :H Cell volume: 20840.7 Cell parameters: 28.1211; 28.1211; 30.4311; 90; 90; 120;

COD ID: 4131625
CIF file	Formula: - C228 H216 N32 - Comments: Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties. Journal of the American Chemical Society 139(50) (2017) 18142-18145 Space group: R 3 :H Cell volume: 22360.9 Cell parameters: 29.0242; 29.0242; 30.6505; 90; 90; 120;

COD ID: 4133062

Formula: - C132 H132 N36 O25 Zn13 -
Comments: Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui Enabling Homochirality and Hydrothermal Stability in Zn4O-Based Porous Crystals. Journal of the American Chemical Society 140(42) (2018) 13566-13569
Space group: R 3 :H
Cell volume: 11610
Cell parameters: 21.407; 21.407; 29.254; 90; 90; 120;

COD ID: 4133644

Formula: - C17 H19 N3 O6 -
Comments: Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene. Journal of the American Chemical Society 141(1) (2019) 657-670
Space group: R 3 :H
Cell volume: 7652.9
Cell parameters: 36.4159; 36.4159; 6.6637; 90; 90; 120;

COD ID: 4133705

Formula: - C44.67 H53.67 B Cl8 F4 Fe N8 O -
Comments: Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten A Series of Iron Nitrosyl Complexes {Fe-NO}6-9 and a Fleeting {Fe-NO}10 Intermediate en Route to a Metalacyclic Iron Nitrosoalkane. Journal of the American Chemical Society 141(43) (2019) 17217-17235
Space group: R 3 :H
Cell volume: 11844
Cell parameters: 18.6911; 18.6911; 39.1469; 90; 90; 120;

COD ID: 4134695
CIF file	Formula: - C60 H120 N16 P4 U - Comments: Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S. Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex. Journal of the American Chemical Society 142(16) (2020) 7368-7373 Space group: R 3 :H Cell volume: 5234.6 Cell parameters: 20.6977; 20.6977; 14.1093; 90; 90; 120;

COD ID: 4134696
CIF file	Formula: - C60 H120 N16 O P4 U - Comments: Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S. Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex. Journal of the American Chemical Society 142(16) (2020) 7368-7373 Space group: R 3 :H Cell volume: 5221 Cell parameters: 20.77; 20.77; 13.975; 90; 90; 120;

COD ID: 4134868

Formula: - C64 H128 La4 N32 O80 Rb4 -
Comments: Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics. Journal of the American Chemical Society 142(21) (2020) 9634-9641
Space group: R 3 :H
Cell volume: 9071.2
Cell parameters: 20.4511; 20.4511; 25.0437; 90; 90; 120;

COD ID: 4134871

Formula: - C64 H128 La4 N33.33 O80 -
Comments: Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics. Journal of the American Chemical Society 142(21) (2020) 9634-9641
Space group: R 3 :H
Cell volume: 9137.6
Cell parameters: 20.5225; 20.5225; 25.052; 90; 90; 120;

COD ID: 4134910

Formula: - C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -
Comments: Singh, Jatinder; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Hadiputra, Rizky; Jung, Jaehoon; Chi, Ki-Whan The first quantitative synthesis of a closed three‒link chain (631) using coordination and non-covalent interactions‒driven self‒assembly. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 29985
Cell parameters: 42.315; 42.315; 19.337; 90; 90; 120;

COD ID: 4135163

Formula: - C10.22 H11.29 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6866.9
Cell parameters: 27.9529; 27.9529; 10.1479; 90; 90; 120;

COD ID: 4135166

Formula: - C7.83 H8.66 N3 O3.21 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7202
Cell parameters: 28.659; 28.659; 10.1251; 90; 90; 120;

COD ID: 4135167

Formula: - C7 H7 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7036.6
Cell parameters: 28.2634; 28.2634; 10.1714; 90; 90; 120;

COD ID: 4135170

Formula: - C9.73 H13.38 N3.91 O3.91 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7308.1
Cell parameters: 28.8656; 28.8656; 10.1277; 90; 90; 120;

COD ID: 4135172

Formula: - C7 H7 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6999
Cell parameters: 28.2673; 28.2673; 10.1143; 90; 90; 120;

COD ID: 4135173

Formula: - C8.9 H9.85 N3.95 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6802.99
Cell parameters: 27.8332; 27.8332; 10.14011; 90; 90; 120;

COD ID: 4135174

Formula: - C8.54 H11.62 N3 O3.77 S0.77 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7058.1
Cell parameters: 28.3977; 28.3977; 10.1062; 90; 90; 120;

COD ID: 4135176

Formula: - C7 H7 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 5115.5
Cell parameters: 24.035; 24.035; 10.2251; 90; 90; 120;

COD ID: 4135177

Formula: - C7 H7 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6914.99
Cell parameters: 27.9972; 27.9972; 10.18666; 90; 90; 120;

COD ID: 4135178

Formula: - C8.97 H10.94 N3 O3.66 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7048
Cell parameters: 28.3178; 28.3178; 10.1489; 90; 90; 120;

COD ID: 4135180

Formula: - C7.54 H8.09 N3 O3.27 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7227.9
Cell parameters: 28.6845; 28.6845; 10.1435; 90; 90; 120;

COD ID: 4135181

Formula: - C10.53 H11.41 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6979.71
Cell parameters: 28.1677; 28.1677; 10.1579; 90; 90; 120;

COD ID: 4135182

Formula: - C7 H7 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6994.81
Cell parameters: 28.1768; 28.1768; 10.1733; 90; 90; 120;

COD ID: 4135183

Formula: - C7.69 H8.37 Cl1.37 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6752.4
Cell parameters: 27.7361; 27.7361; 10.1353; 90; 90; 120;

COD ID: 4135184

Formula: - C7 H7 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7350.52
Cell parameters: 28.9145; 28.9145; 10.1521; 90; 90; 120;

COD ID: 4135185

Formula: - C8.44 H9.16 F2.16 N3 O3.72 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7005.7
Cell parameters: 28.2675; 28.2675; 10.1239; 90; 90; 120;

COD ID: 4135186

Formula: - C7 H7 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7090.7
Cell parameters: 28.3671; 28.3671; 10.1749; 90; 90; 120;

COD ID: 4135187

Formula: - C7.74 H8.77 N3 O3.29 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7292.8
Cell parameters: 28.8315; 28.8315; 10.1304; 90; 90; 120;

COD ID: 4135195

Formula: - C8.26 H8.44 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 6975.8
Cell parameters: 28.1471; 28.1471; 10.16708; 90; 90; 120;

COD ID: 4135201

Formula: - C12.78 H12.78 N3 O3 Zn -
Comments: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society (2020)
Space group: R 3 :H
Cell volume: 7022.4
Cell parameters: 28.1915; 28.1915; 10.2028; 90; 90; 120;

COD ID: 4135584

Formula: - C12 H24 Br2 O6 Zn -
Comments: Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society 143(2) (2021) 798-804
Space group: R 3 :H
Cell volume: 1377.5
Cell parameters: 11.5448; 11.5448; 11.934; 90; 90; 120;

COD ID: 4135586

Formula: - C12 H24 Br2 Eu O6 -
Comments: Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society 143(2) (2021) 798-804
Space group: R 3 :H
Cell volume: 1469.7
Cell parameters: 11.9296; 11.9296; 11.925; 90; 90; 120;

COD ID: 4300390
CIF file	Formula: - F28 O8 Sb4 Xe4 - Comments: Inorganic Chemistry (2006) Space group: R 3 :H Cell volume: 2119.1 Cell parameters: 12.9188; 12.9188; 14.6612; 90; 90; 120;

COD ID: 4302765
CIF file	Formula: - C48 H48 Ag12 Cl6 N30 O46 - Comments: Jitendra Kumar; Sandeep Verma Silver-Adenine Metallamacrocyclic Hexamer Inorganic Chemistry 48 (2009) 6350-6352 Space group: R 3 :H Cell volume: 6689.5 Cell parameters: 18.5055; 18.5055; 22.556; 90; 90; 120;

COD ID: 4303409

Formula: - C41 H95 Mn7 N25 Na O20 -
Comments: Theocharis C. Stamatatos; Dolos Foguet-Albiol; Katye M. Poole; Wolfgang Wernsdorfer; Khalil A. Abboud; Ted A. O'Brien; George Christou Spin Maximization from S= 11 to S= 16 in Mn7 Disk-Like Clusters: Spin Frustration Effects and Their Computational Rationalization Inorganic Chemistry 48 (2009) 9831-9845
Space group: R 3 :H
Cell volume: 4961.4
Cell parameters: 15.8536; 15.8536; 22.7938; 90; 90; 120;

COD ID: 4304959
CIF file	Formula: - C126 H202 O105 Sn2 - Comments: Shun-Li Li; Ya-Qian Lan; Jian-Fang Ma; Jin Yang; Min Zhang; Zhong-Min Su Unprecedented Dinuclear Tin Derivative of Deprotonated β-Cyclodextrins Inorganic Chemistry 47 (2008) 2931-2933 Space group: R 3 :H Cell volume: 14764.5 Cell parameters: 19.9; 19.9; 43.051; 90; 90; 120;

COD ID: 4305545

Formula: - C117 H98 Br3 Cl4 Cu3 N9 O2 P6 -
Comments: Marlyn Rivera-Carrillo; Indranil Chakraborty; Gellert Mezei; Richard D. Webster; Raphael G. Raptis Tuning of the [Cu3(μ-O)]4+/5+ Redox Couple: Spectroscopic Evidence of Charge Delocalization in the Mixed-Valent [Cu3(μ-O)]5+ Species Inorganic Chemistry 47 (2008) 7644-7650
Space group: R 3 :H
Cell volume: 8177.8
Cell parameters: 22.8567; 22.8567; 18.0751; 90; 90; 120;

COD ID: 4305546

Formula: - C117 H98 Cl7 Cu3 N9 O2 P6 -
Comments: Marlyn Rivera-Carrillo; Indranil Chakraborty; Gellert Mezei; Richard D. Webster; Raphael G. Raptis Tuning of the [Cu3(μ-O)]4+/5+ Redox Couple: Spectroscopic Evidence of Charge Delocalization in the Mixed-Valent [Cu3(μ-O)]5+ Species Inorganic Chemistry 47 (2008) 7644-7650
Space group: R 3 :H
Cell volume: 8112.3
Cell parameters: 22.8405; 22.8405; 17.9558; 90; 90; 120;

COD ID: 4305547

Formula: - C120 H101 Cl4 Cu3 N9 O5 P6 -
Comments: Marlyn Rivera-Carrillo; Indranil Chakraborty; Gellert Mezei; Richard D. Webster; Raphael G. Raptis Tuning of the [Cu3(μ-O)]4+/5+ Redox Couple: Spectroscopic Evidence of Charge Delocalization in the Mixed-Valent [Cu3(μ-O)]5+ Species Inorganic Chemistry 47 (2008) 7644-7650
Space group: R 3 :H
Cell volume: 8123
Cell parameters: 22.908; 22.908; 17.874; 90; 90; 120;

COD ID: 4305548