Search results

Formula: - C23 H35 Lu -
Comments: Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J. Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands Organometallics 24(10) (2005) 2269-2278
Space group: I -4
Cell volume: 4287.7
Cell parameters: 22.5779; 22.5779; 8.4111; 90; 90; 90;

COD ID: 1501599
CIF file	Formula: - C109 H180 N24 O20 - Comments: Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids Macromolecules 37 (2004) 7351-7357 Space group: I -4 Cell volume: 5637.9 Cell parameters: 11.8715; 11.8715; 40.004; 90; 90; 90;

COD ID: 1501610
CIF file	Formula: - C45 H56 N4 O10 - Comments: Dominic Laliberté; Thierry Maris; James D. Wuest Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks Can. J. Chem. 82 (2004) 386-398 Space group: I -4 Cell volume: 4443.9 Cell parameters: 24.9135; 24.9135; 7.1597; 90; 90; 90;

COD ID: 1509280
CIF file	Formula: - Ag Cs O - Comments: Hoppe, R.; Sabrowsky, H. Darstellung und Kristallstruktur von K Ag O und Cs Ag O Zeitschrift fuer Anorganische und Allgemeine Chemie 358 (1968) 241-256 Space group: I -4 Cell volume: 648.236 Cell parameters: 10.25; 10.25; 6.17; 90; 90; 90;

COD ID: 1509420
CIF file	Formula: - Ag K O - Comments: Hoppe, R.; Sabrowsky, H. Darstellung und Kristallstruktur von K Ag O und Cs Ag O Zeitschrift fuer Anorganische und Allgemeine Chemie 358 (1968) 241-256 Space group: I -4 Cell volume: 536.216 Cell parameters: 9.91; 9.91; 5.46; 90; 90; 90;

COD ID: 1509816
CIF file	Formula: - Ag2 Hg I4 - Comments: Klingler, W.; Hahn, H.; Frank, G. Zur Struktur des Cu2 Hg I4-beta und des Ag2 Hg I4-beta Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 271-280 Space group: I -4 Cell volume: 504.113 Cell parameters: 6.317; 6.317; 12.633; 90; 90; 90;

COD ID: 1510102
CIF file	Formula: - Au Cs O - Comments: Wasel-Nielen, H.D.; Hoppe, R. Oxoaurate(I) der Alkalimetalle: Cs Au O Zeitschrift fuer Anorganische und Allgemeine Chemie 359 (1968) 36-40 Space group: I -4 Cell volume: 636.902 Cell parameters: 10.16; 10.16; 6.17; 90; 90; 90;

COD ID: 1510360
CIF file	Formula: - Au2 Ba F8 - Comments: Mueller, B.G. Neue Fluoroaurate(III) Zeitschrift fuer Anorganische und Allgemeine Chemie 555 (1987) 57-63 Space group: I -4 Cell volume: 728.118 Cell parameters: 9.788; 9.788; 7.6; 90; 90; 90;

COD ID: 1511943
CIF file	Formula: - C207 H78 O12 - Comments: Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts Organic Letters 15(9) (2013) 2164 Space group: I -4 Cell volume: 12941 Cell parameters: 22.459; 22.459; 25.656; 90; 90; 90;

COD ID: 1512229
CIF file	Formula: - C42 H50 N4 - Comments: Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives. Organic letters 15(16) (2013) 4182-4185 Space group: I -4 Cell volume: 3725.2 Cell parameters: 13.3049; 13.3049; 21.044; 90; 90; 90;

COD ID: 1515956

Formula: - C15 H21 N O -
Comments: Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J. 6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 8(6) (2009) 751-754
Space group: I -4
Cell volume: 2773
Cell parameters: 17.588; 17.588; 8.963; 90; 90; 90;

COD ID: 1516537

Formula: - C40 H60 Cr4 P4 -
Comments: Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science 5(6) (2014) 2443
Space group: I -4
Cell volume: 2007.79
Cell parameters: 11.9954; 11.9954; 13.9537; 90; 90; 90;

COD ID: 1517433

Formula: - C50 H42 N4 -
Comments: Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media. Organic letters 16(17) (2014) 4622
Space group: I -4
Cell volume: 3736.9
Cell parameters: 23.0796; 23.0796; 7.0154; 90; 90; 90;

COD ID: 1517715

Formula: - C32 H46 N4 Ni O2 S2 -
Comments: N. Selvakumaran; A. Pratheepkumar; S.W. Ng; Edward R.T. Tiekink; R. Karvembu Synthesis, structural characterization and cytotoxicity of nickel(II) complexes containing 3,3-dialkyl/aryl-1-benzoylthiourea ligands Inorganica Chimica Acta 404 (2013) 82-87
Space group: I -4
Cell volume: 3396.53
Cell parameters: 13.1481; 13.1481; 19.6476; 90; 90; 90;

COD ID: 1518220
CIF file	Formula: - Cu H4 Mo N S4 - Comments: Bensch, W.; Stauber-Reichmuth, G.; Reller, A.; Oswald, H. R. Single crystal structure of NH4CuMoS4 Revue de Chimie Minerale 24 (1987) 503-508 Space group: I -4 Cell volume: 345.97 Cell parameters: 8.005; 8.005; 5.399; 90; 90; 90;

COD ID: 1519564
CIF file	Formula: - C122 H118 Cl10 Mn9 N58 O60 - Comments: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C122H118Cl10Mn9N58O60 Crystal Structure Report Archive (2003) 970 Space group: I -4 Cell volume: 8485 Cell parameters: 18.497; 18.497; 24.801; 90; 90; 90;

COD ID: 1520264
CIF file	Formula: - C20 H20 Cu F6 N4 P - Comments: Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman; Altin, Safinaz; Kurt, Ozgur tetrakis(Pyridine)-copper(i), hexafluorophosphate Crystal Structure Report Archive (2008) 385 Space group: I -4 Cell volume: 1080.36 Cell parameters: 12.5009; 12.5009; 6.9133; 90; 90; 90;

COD ID: 1521080
CIF file	Formula: - Ge Se2 - Comments: Grzechnik, A.; Mezouar, M.; Stolen, S.; Bakken, E.; Grande, T. Structural transformations in three-dimensional crystalline Ge Se2 at high pressures and high temperatures Journal of Solid State Chemistry 150 (2000) 121-127 Space group: I -4 Cell volume: 301.405 Cell parameters: 5.5073; 5.5073; 9.9374; 90; 90; 90;

COD ID: 1524267
CIF file	Formula: - Ga2.17 Mn0.75 S4 - Comments: Dogguy Smiri, L.; Pardo, M.P.; Dung, N.H. Macle et structure cristalline de Mn0.75 Ga2.17 S4 Materials Research Bulletin 13 (1978) 661-665 Space group: I -4 Cell volume: 304.228 Cell parameters: 5.456; 5.456; 10.22; 90; 90; 90;

COD ID: 1525426
CIF file	Formula: - Ca Li U - Comments: Vedrine, A.; Cousseins, J.C.; Baraduc, L. Sur une nouvelle famille de composes M(II) M(IV) Li2 F8 de structure apparentee a celle de la Scheelite Materials Research Bulletin 8 (1973) 581-588 Space group: I -4 Cell volume: 303.055 Cell parameters: 5.241; 5.241; 11.033; 90; 90; 90;

COD ID: 1526195
CIF file	Formula: - Mo2.675 Ni0.325 P - Comments: Orishchin, S.V.; Bauer, J.; Deputier, S.; le Senechal, C.; Guerin, R.; Aksel'rud, L.G. New ternary phases in the Mo - Ni - P system: synthesis and crystal structures Journal of Solid State Chemistry 160 (2001) 156-166 Space group: I -4 Cell volume: 452.863 Cell parameters: 9.733; 9.733; 4.7805; 90; 90; 90;

COD ID: 1526197
CIF file	Formula: - Cd Ga2 Se4 - Comments: Grzechnik, A.; Ursaki, V.V.; Syassen, K.; Tiginyanu, I.M.; Loa, I.; Hanfland, M. Pressure-induced phase transitions in cadmium thiogallate Cd Ga2 Se4 Journal of Solid State Chemistry 160 (2001) 205-211 Space group: I -4 Cell volume: 290.752 Cell parameters: 5.3167; 5.3167; 10.2858; 90; 90; 90;

COD ID: 1526327
CIF file	Formula: - Mo0.64 O4 Pb W0.36 - Comments: Hibbs, D.E.; Jury, C.M.; Williams, P.A.; Leverett, P.; Plimer, I.R. An explanation for the origin of hemihedrism in wulfenite: the single crystal structures of I41/a and I4- tungstenian wulfenites Mineralogical Magazine (1969-) 64 (2000) 1057-1062 Space group: I -4 Cell volume: 357.267 Cell parameters: 5.441; 5.441; 12.068; 90; 90; 90;

COD ID: 1527531
CIF file	Formula: - Cu Na O - Comments: Hoppe, R.; Hestermann, K.; Schenk, F. Neue Oxocuprate(I). Na Cu O und Rb Cu O Zeitschrift fuer Anorganische und Allgemeine Chemie 367 (1969) 275-280 Space group: I -4 Cell volume: 367.421 Cell parameters: 8.87; 8.87; 4.67; 90; 90; 90;

COD ID: 1527532
CIF file	Formula: - Cu O Rb - Comments: Hoppe, R.; Hestermann, K.; Schenk, F. Neue Oxocuprate(I). Na Cu O und Rb Cu O Zeitschrift fuer Anorganische und Allgemeine Chemie 367 (1969) 275-280 Space group: I -4 Cell volume: 530.997 Cell parameters: 9.56; 9.56; 5.81; 90; 90; 90;

COD ID: 1528540
CIF file	Formula: - Be O4 S - Comments: Grund, A. Die Kristallstruktur von Be S O4 Tschermaks Mineralogische und Petrographische Mitteilungen (-1978) 5 (1955) 227-230 Space group: I -4 Cell volume: 139.105 Cell parameters: 4.49; 4.49; 6.9; 90; 90; 90;

COD ID: 1528945
CIF file	Formula: - C32 H16 Cl16 F32 Mn12 O52 - Comments: Tsai Huilieu; Shiao Hongann; Lee Genehsiang; Wur Chingshuei; Jwo Tunyih; Yang Cheni Single-molecule magnets: [Mn12 O12 (O2 C C F2 Cl)16 (H2 O)4](0/-) Polyhedron 24 (2005) 2205-2214 Space group: I -4 Cell volume: 4671.76 Cell parameters: 18.6838; 18.6838; 13.3829; 90; 90; 90;

COD ID: 1529581
CIF file	Formula: - La N2.4 O0.6 W - Comments: Bacher, P.; Laurent, Y.; Antoine, P.; L'Haridon, P.; Marchand, R.; Roult, G. Time-of-flight neutron diffraction study of the structure of the perovskite-type oxynitride LaWO~0.6N~2.4~ Journal of Solid State Chemistry 77(1) (1988) 67-71 Space group: I -4 Cell volume: 255.856 Cell parameters: 5.6523; 5.6523; 8.0084; 90; 90; 90;

COD ID: 1529676
CIF file	Formula: - N O P - Comments: Bondars, B.Ya.; Vitola, A.A.; Millers, T.N.; Ozolins, G.; Sila, Z. Investigation of the structure of phosphorous oxynitride Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija 1977 (1977) 632-632 Space group: I -4 Cell volume: 149.625 Cell parameters: 4.621; 4.621; 7.007; 90; 90; 90;

COD ID: 1530051
CIF file	Formula: - Cu1.98 Fe0.28 S4 Sn0.99 Zn0.72 - Comments: Hall, S.R.; Szymanski, J.T.; Stewart, J.M. Kesterite, Cu2 (Zn, Fe) Sn S4, and stannite, Cu2 (Fe, Zn) Sn S4, structurally similar but distinct minerals Canadian Mineralogist 16 (1978) 131-137 Space group: I -4 Cell volume: 320.176 Cell parameters: 5.427; 5.427; 10.871; 90; 90; 90;

COD ID: 1530104
CIF file	Formula: - C12 H8 F4 O16 Re4 - Comments: Horn, E.; Snow, M.R. A tetranuclear carbonyl fluoro rhenium(I) cluster, (Re (C O)3 F)4 (H2 O)4 Australian Journal of Chemistry 34 (1981) 737-743 Space group: I -4 Cell volume: 1233.73 Cell parameters: 11.716; 11.716; 8.988; 90; 90; 90;

COD ID: 1531101
CIF file	Formula: - Ca F8 Hf Li2 - Comments: Ayala, A.; Paschoal, C.W.A.; Castellano, E.E.; Gesland, J.Y.; Ellena, J.; Moreira, R.L. Single-crystal structure determination and infrared reflectivity study of the Li2 Ca Hf F8 scheelite Journal of Physics: Condensed Matter 14 (2002) 5485-5495 Space group: I -4 Cell volume: 274.427 Cell parameters: 5.1063; 5.1063; 10.5248; 90; 90; 90;

COD ID: 1531463
CIF file	Formula: - Hg2 Se4 Sn - Comments: Gulay, L.D.; Parasyuk, O.V. Crystal structure of the Ag2.66 Hg2 Sn1.34 Se6 and Hg2 Sn Se4 compounds Journal of Alloys Compd. 337 (2002) 94-98 Space group: I -4 Cell volume: 385.7 Cell parameters: 5.777; 5.777; 11.557; 90; 90; 90;

COD ID: 1531663
CIF file	Formula: - Li P S4 Zn - Comments: Joergens, S.; Johrendt, D.; Mewis, A. Motive dichtester Kugelpackungen: die Verbindungen Zn3 (P S4)2 und Li Zn P S4 Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1765-1769 Space group: I -4 Cell volume: 293.49 Cell parameters: 5.738; 5.738; 8.914; 90; 90; 90;

COD ID: 1532042
CIF file	Formula: - Ge Hg2 Se4 - Comments: Parasyuk, O.V.; Gulay, L.D.; Piskach, L.V.; Romanyuk, Ya.E.; Olekseyuk, I.D. The (Ag2 Se) - (Hg Se) -(Ge Se2) system and crystal structures of the compounds Journal of Alloys Compd. 351 (2003) 135-144 Space group: I -4 Cell volume: 363.028 Cell parameters: 5.6786; 5.6786; 11.2579; 90; 90; 90;

COD ID: 1534776
CIF file	Formula: - H24 Li4 N6 O24 Ru - Comments: Gromilov, S.A.; Emel'yanov, V.A.; Baidina, I.A.; Alekseev, V.I.; Belyaev, A.V. Synthesis and crystal structure of lithium and potassium hexanitroruthenates(II) Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 35 (1994) 171-177 Space group: I -4 Cell volume: 2320.02 Cell parameters: 11.749; 11.749; 16.807; 90; 90; 90;

COD ID: 1534911
CIF file	Formula: - Al4 Bi4 Cl16 Te4 - Comments: Beck, J.; Schlueter, S.; Dolg, M. (Bi4 Te4)(4+) - a cube-shaped, polycationic main group element cluster Angew. Chem. Int. ed. 40 (2001) 2287-2290 Space group: I -4 Cell volume: 1725.09 Cell parameters: 12.2726; 12.2726; 11.4535; 90; 90; 90;

COD ID: 1534965
CIF file	Formula: - As B O4 - Comments: Haines, J.; Chateau, C.; Leger, J.M.; Bogicevic, C.; Hull, S.; Klug, D.D.; Tse, J.S. Collapsing cristobalitelike structures in silica analogues at high pressure Physical Review Letters 91 (2003) 015503-015503 Space group: I -4 Cell volume: 135.89 Cell parameters: 4.46577; 4.46577; 6.81389; 90; 90; 90;

COD ID: 1535034

Formula: - Al4 Bi4 Cl16 S4 -
Comments: Beck, J.; Zotov, N.; Schlueter, S. The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2512-2519
Space group: I -4
Cell volume: 1542.43
Cell parameters: 11.816; 11.816; 11.0475; 90; 90; 90;

COD ID: 1535036

Formula: - Al4 Bi4 Cl16 Se4 -
Comments: Beck, J.; Schlueter, S.; Zotov, N. The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2512-2519
Space group: I -4
Cell volume: 1609.02
Cell parameters: 11.9932; 11.9932; 11.1864; 90; 90; 90;

COD ID: 1535381
CIF file	Formula: - Cl3 F2 Sb - Comments: Minkwitz, R.; Preut, H.; Kornath, A. Ueber die Reaktion von HCl im System HF/SbF3 und die Kristallstruktur von SbCl3F2 Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 638-641 Space group: I -4 Cell volume: 1245.18 Cell parameters: 12.816; 12.816; 7.581; 90; 90; 90;

COD ID: 1535838
CIF file	Formula: - D2 Li N - Comments: Nagib, M.; Jacobs, H. Neutronenbeugung an Lithiumdeuteroamid Atomkernenergie 21 (1973) 275-278 Space group: I -4 Cell volume: 260.818 Cell parameters: 5.037; 5.037; 10.28; 90; 90; 90;

COD ID: 1537150
CIF file	Formula: - As4 H112 K Na27 O196 W40 - Comments: Rosu, C.; Crans, D.C.; Weakley, T.J.R. Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+) Polyhedron 21 (2002) 959-962 Space group: I -4 Cell volume: 9794.94 Cell parameters: 19.491; 19.491; 25.783; 90; 90; 90;

COD ID: 1537364
CIF file	Formula: - Al2 Cd S4 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 319.488 Cell parameters: 5.564; 5.564; 10.32; 90; 90; 90;

COD ID: 1537365
CIF file	Formula: - Al2 Hg S4 - Comments: Hahn, H.; Klingler, W.; Frank, G.; Stoerger, A.D.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 309.012 Cell parameters: 5.488; 5.488; 10.26; 90; 90; 90;

COD ID: 1537366
CIF file	Formula: - Al2 Se4 Zn - Comments: Hahn, H.; Klingler, W.; Frank, G.; Stoerger, A.D.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 330.085 Cell parameters: 5.503; 5.503; 10.9; 90; 90; 90;

COD ID: 1537367
CIF file	Formula: - Al2 Cd Se4 - Comments: Hahn, H.; Stoerger, G.; Frank, G.; Klingler, W.; Stoerger, A.D. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 352.739 Cell parameters: 5.747; 5.747; 10.68; 90; 90; 90;

COD ID: 1537368
CIF file	Formula: - Al2 Hg Se4 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, G.; Stoerger, A.D. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 349.923 Cell parameters: 5.708; 5.708; 10.74; 90; 90; 90;

COD ID: 1537369
CIF file	Formula: - Al2 Te4 Zn - Comments: Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 421.739 Cell parameters: 5.916; 5.916; 12.05; 90; 90; 90;

COD ID: 1537370
CIF file	Formula: - Al2 Cd Te4 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 441.173 Cell parameters: 6.011; 6.011; 12.21; 90; 90; 90;

COD ID: 1537371
CIF file	Formula: - Al2 Hg Te4 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 436.541 Cell parameters: 6.004; 6.004; 12.11; 90; 90; 90;

COD ID: 1537372
CIF file	Formula: - Cd Ga2 S4 - Comments: Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 313.219 Cell parameters: 5.576; 5.576; 10.074; 90; 90; 90;

COD ID: 1537373
CIF file	Formula: - Cd Ga2 Se4 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, G.; Stoerger, A.D. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 353.897 Cell parameters: 5.743; 5.743; 10.73; 90; 90; 90;

COD ID: 1537374
CIF file	Formula: - Ga2 Hg Se4 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 352.088 Cell parameters: 5.715; 5.715; 10.78; 90; 90; 90;

COD ID: 1537375
CIF file	Formula: - Cd Ga2 Te4 - Comments: Hahn, H.; Stoerger, A.D.; Klingler, W.; Frank, G.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 438.442 Cell parameters: 6.093; 6.093; 11.81; 90; 90; 90;

COD ID: 1537376
CIF file	Formula: - In2 Se4 Zn - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, G.; Stoerger, A.D. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 372.469 Cell parameters: 5.711; 5.711; 11.42; 90; 90; 90;

COD ID: 1537377
CIF file	Formula: - Hg In2 Se4 - Comments: Hahn, H.; Stoerger, G.; Frank, G.; Stoerger, A.D.; Klingler, W. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 392.04 Cell parameters: 5.764; 5.764; 11.8; 90; 90; 90;

COD ID: 1537378
CIF file	Formula: - In2 Te4 Zn - Comments: Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 458.742 Cell parameters: 6.122; 6.122; 12.24; 90; 90; 90;

COD ID: 1537379
CIF file	Formula: - Cd In2 Te4 - Comments: Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 477.464 Cell parameters: 6.205; 6.205; 12.401; 90; 90; 90;

COD ID: 1537380
CIF file	Formula: - Hg In2 Te4 - Comments: Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G. Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 241-270 Space group: I -4 Cell volume: 473.358 Cell parameters: 6.186; 6.186; 12.37; 90; 90; 90;

COD ID: 1537408
CIF file	Formula: - Cu K O - Comments: Hestermann, K.; Hoppe, R. Notiz ueber K Cu O Zeitschrift fuer Anorganische und Allgemeine Chemie 360 (1968) 113-116 Space group: I -4 Cell volume: 474.269 Cell parameters: 9.32; 9.32; 5.46; 90; 90; 90;

COD ID: 1537483
CIF file	Formula: - H Li S - Comments: Juza, R.; Laurer, P. Zur Kenntnis des Lithiumhydrogensulfids Zeitschrift fuer Anorganische und Allgemeine Chemie 275 (1954) 79-93 Space group: I -4 Cell volume: 380.342 Cell parameters: 5.554; 5.554; 12.33; 90; 90; 90;

COD ID: 1537683
CIF file	Formula: - Mn3 P - Comments: Arstad, O.; Nowotny, H. Roentgenographische Untersuchungen im System Mn-P Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 38 (1937) 356-358 Space group: I -4 Cell volume: 388.158 Cell parameters: 9.178; 9.178; 4.608; 90; 90; 90;

COD ID: 1538494
CIF file	Formula: - Cl4 F Ta - Comments: Preiss, H. Die Kritallstruktur von Ta Cl4 F Zeitschrift fuer Anorganische und Allgemeine Chemie 346 (1966) 272-278 Space group: I -4 Cell volume: 1266.51 Cell parameters: 12.71; 12.71; 7.84; 90; 90; 90;

COD ID: 1539713
CIF file	Formula: - Cu7 S4 Tl - Comments: Berger, R.A.; Sobott, R.J. Characterization of Tl Cu7 S4, a crookesite analogue Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 118 (1987) 967-972 Space group: I -4 Cell volume: 399.842 Cell parameters: 10.1797; 10.1797; 3.8585; 90; 90; 90;

COD ID: 1541199
CIF file	Formula: - Te3 Tl5 - Comments: Man, L.I.; Imamov, R.M.; Pinsker, Z.G. Crystal structure of thallium telluride, Tl5 Te3 Soviet Physics, Crystallography (= Kristallografiya) 16 (1971) 94-98 Space group: I -4 Cell volume: 1004.92 Cell parameters: 8.92; 8.92; 12.63; 90; 90; 90;

COD ID: 1541826
CIF file	Formula: - C2 H2 F6 N O5 Rb S2 - Comments: Xue, L.-X.; Pennington, W.T.; Padgett, C.W.; DesMarteau, D.D. Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide Solid State Sciences 4 (2002) 1535-1545 Space group: I -4 Cell volume: 2065.48 Cell parameters: 16.423; 16.423; 7.658; 90; 90; 90;

COD ID: 1542226
CIF file	Formula: - C8 H16 Co Hg N12 S8 - Comments: Korczynski, A.; Porai-Koshits, M. A. The Crystal Structure of Hg (S C (N H2)2)4 Co (S C N)4 Roczniki Chemii 39 (1965) 1567-1584 Space group: I -4 Cell volume: 1273.54 Cell parameters: 17.27; 17.27; 4.27; 90; 90; 90;

COD ID: 1542355

Formula: - C21 H34 Cl3 Co F6 N5 O2 P -
Comments: Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci. 7(5) (2016) 3264
Space group: I -4
Cell volume: 5773.3
Cell parameters: 28.715; 28.715; 7.0017; 90; 90; 90;

COD ID: 1542888

Formula: - C31 H34 N2 O4 P2 Ru -
Comments: Tan, Xuefeng; Wang, Guozhen; Zhu, Ziyue; Ren, Conghui; Zhou, Jinping; Lv, Hui; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Lina; Zhang, Xumu Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex. Organic letters 18(7) (2016) 1518-1521
Space group: I -4
Cell volume: 8027
Cell parameters: 19.4893; 19.4893; 21.1331; 90; 90; 90;

COD ID: 1543414
CIF file	Formula: - C45 H32 Cu1.88 I1.88 N4 S3.01 - Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016) Space group: I -4 Cell volume: 5178.16 Cell parameters: 26.8758; 26.8758; 7.1689; 90; 90; 90;

COD ID: 1543415
CIF file	Formula: - C45 H32 Cu1.88 I1.88 N4 S3.01 - Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016) Space group: I -4 Cell volume: 5194.15 Cell parameters: 26.8987; 26.8987; 7.1788; 90; 90; 90;

COD ID: 1543416
CIF file	Formula: - C45 H32 Cu1.85 I1.85 N4 S3 - Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016) Space group: I -4 Cell volume: 5176.56 Cell parameters: 26.8664; 26.8664; 7.1717; 90; 90; 90;

COD ID: 1546292
CIF file	Formula: - C8 H44 Al N9 O16 P4 - Comments: Riou, D.; Loiseau, T.; Ferey, G. Structure determination of (N2C2H10)4(NH4)AlP4O16 : a new aluminophosphate templated by ethylenediamine Journal of Solid State Chemistry 99 (1992) 414-418 Space group: I -4 Cell volume: 1439.85 Cell parameters: 9.1545; 9.1545; 17.181; 90; 90; 90;

COD ID: 1546581
CIF file	Formula: - C28 H16 N10 Ni S4 - Comments: Xue, Dan; Luo, Su-Ping; Zhan, Shu-Zhong A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer New Journal of Chemistry 41(16) (2017) 8503-8508 Space group: I -4 Cell volume: 1384.2 Cell parameters: 10.256; 10.256; 13.16; 90; 90; 90;

COD ID: 1546652

Formula: - C13 H12 Hg S -
Comments: Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P. (Benzylthiolato-κS)phenylmercury(II) IUCrData 2(4) (2017)
Space group: I -4
Cell volume: 2392.58
Cell parameters: 20.4402; 20.4402; 5.7266; 90; 90; 90;

COD ID: 1547692

Formula: - C25 H24 O12 P4 -
Comments: Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications 8 (2017) 15369
Space group: I -4
Cell volume: 1323.81
Cell parameters: 13.2646; 13.2646; 7.5238; 90; 90; 90;

COD ID: 1547734

Formula: - C24 H30 N4 O2 -
Comments: Zhang, Shang-Shi; Xia, Jie; Wu, Jia-Qiang; Liu, Xu-Ge; Zhou, Chu-Jun; Lin, E.; Li, Qingjiang; Huang, Shi-Liang; Wang, Honggen Three-Component Catalytic Carboxygenation of Activated Alkenes Enabled by Bimetallic Rh(III)/Cu(II) Catalysis. Organic letters 19(21) (2017) 5868-5871
Space group: I -4
Cell volume: 4352.4
Cell parameters: 17.5556; 17.5556; 14.122; 90; 90; 90;

COD ID: 1548642
CIF file	Formula: - C124 H230 N20 Ni4 O61 - Comments: Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units Scientific Reports 2 (2012) 668 Space group: I -4 Cell volume: 8004.5 Cell parameters: 30.0315; 30.0315; 8.8752; 90; 90; 90;

COD ID: 1548666

Formula: - C36 H56 Fe O4 P Si4 -
Comments: Hay, Michael T.; Yennawar, Hemant P. Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III) IUCrData 3(1) (2018) x171823
Space group: I -4
Cell volume: 2169
Cell parameters: 12.589; 12.589; 13.689; 90; 90; 90;

COD ID: 1549705

Formula: - C52 H60 B F24 Fe P4 -
Comments: Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E. Reversible coordination of N2 and H2 to a homoleptic S = 1/2 Fe(i) diphosphine complex in solution and the solid state. Chemical science 9(37) (2018) 7362-7369
Space group: I -4
Cell volume: 3084.75
Cell parameters: 13.2989; 13.2989; 17.4417; 90; 90; 90;

COD ID: 1551847

Formula: - C16.25 H17 N2 -
Comments: Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers Nature Chemistry 7 (2015) 634-640
Space group: I -4
Cell volume: 2971.2
Cell parameters: 20.205; 20.205; 7.278; 90; 90; 90;

COD ID: 1553019

Formula: - C32 H25 N6 O8 S2 -
Comments: Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745 Org. Chem. Front. 1(8) (2014) 956
Space group: I -4
Cell volume: 6777.8
Cell parameters: 21.9204; 21.9204; 14.1057; 90; 90; 90;

COD ID: 1555865
CIF file	Formula: - C104 H92 B4 F8 N8 O4 - Comments: Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers. Organic letters 18(20) (2016) 5380-5383 Space group: I -4 Cell volume: 6029.9 Cell parameters: 22.2417; 22.2417; 12.1892; 90; 90; 90;

COD ID: 1556931
CIF file	Formula: - C25 H24 N2 O4 - Comments: George, Josemon; Ward, Jas S.; Sherburn, Michael S. A general synthesis of dendralenes Chemical Science 10(43) (2019) 9969 Space group: I -4 Cell volume: 4221.4 Cell parameters: 18.1165; 18.1165; 12.8619; 90; 90; 90;

COD ID: 1557299
CIF file	Formula: - C5 H12 O4 - Comments: Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence Chemical Science 11(11) (2020) 2926-2933 Space group: I -4 Cell volume: 325.29 Cell parameters: 6.0826; 6.0826; 8.792; 90; 90; 90;

COD ID: 1557980

Formula: - C16 H16 N2 -
Comments: Crundwell, Guy; Leeds, Ashley 2,3-Diethylbenzo[g]quinoxaline IUCrData 5(4) (2020) x200454
Space group: I -4
Cell volume: 2556.16
Cell parameters: 13.93535; 13.93535; 13.1629; 90; 90; 90;

COD ID: 1558080

Formula: - C56 H128 Ce N16 P4 -
Comments: Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S. Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field. Chemical science 11(24) (2020) 6149-6159
Space group: I -4
Cell volume: 3764.5
Cell parameters: 13.3726; 13.3726; 21.0511; 90; 90; 90;

COD ID: 1558634
CIF file	Formula: - C240 H168 N12 O38 Pd2 - Comments: Tsutsui, Takahiro; Catti, Lorenzo; Yoza, Kenji; Yoshizawa, Michito An Atropisomeric M2L4 Cage Mixture Displaying Guest-Induced Convergence and Strong Guest Emission in Water Chemical Science (2020) Space group: I -4 Cell volume: 9660.4 Cell parameters: 20.0773; 20.0773; 23.9655; 90; 90; 90;

COD ID: 1561464

Formula: - F Ge4 Na5 O16 Pr4 -
Comments: Latshaw, Allison M.; Wilkins, Branford O.; Morrison, Gregory; Smith, Mark D.; zur Loye, Hans-Conrad A5RE4X[TO4]4 crystal growth: Fluoride flux synthesis of Na5Ln4F[GeO4]4 (Ln=Pr, Nd), the first quaternary germanate oxyfluorides Journal of Solid State Chemistry 239 (2016) 200-203
Space group: I -4
Cell volume: 833.92
Cell parameters: 12.1173; 12.1173; 5.6795; 90; 90; 90;

COD ID: 1561465

Formula: - F Ge4 Na5 Nd4 O16 -
Comments: Latshaw, Allison M.; Wilkins, Branford O.; Morrison, Gregory; Smith, Mark D.; zur Loye, Hans-Conrad A5RE4X[TO4]4 crystal growth: Fluoride flux synthesis of Na5Ln4F[GeO4]4 (Ln=Pr, Nd), the first quaternary germanate oxyfluorides Journal of Solid State Chemistry 239 (2016) 200-203
Space group: I -4
Cell volume: 824.9
Cell parameters: 12.0642; 12.0642; 5.6674; 90; 90; 90;

COD ID: 1561669

Formula: - As4 K5 Na O170 Ru4 W40 -
Comments: Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions. Nanoscale 13(17) (2021) 8077-8086
Space group: I -4
Cell volume: 10122
Cell parameters: 19.6886; 19.6886; 26.1118; 90; 90; 90;

COD ID: 1563395

Formula: - C20 H20 Br4 Cu4 N12 -
Comments: Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics Journal of Solid State Chemistry 183(12) (2010) 3010-3016
Space group: I -4
Cell volume: 1758.4
Cell parameters: 13.2978; 13.2978; 9.944; 90; 90; 90;

COD ID: 1563396

Formula: - C20 H20 Br3.21 Cu4 I0.8 N12 -
Comments: Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics Journal of Solid State Chemistry 183(12) (2010) 3010-3016
Space group: I -4
Cell volume: 1774.5
Cell parameters: 13.2862; 13.2862; 10.0523; 90; 90; 90;

COD ID: 1563399

Formula: - C20 H20 Cu4 I4 N12 -
Comments: Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics Journal of Solid State Chemistry 183(12) (2010) 3010-3016
Space group: I -4
Cell volume: 1923.2
Cell parameters: 12.669; 12.669; 11.982; 90; 90; 90;

COD ID: 1564220

Formula: - Ba Br2 F8 -
Comments: Ivlev, Sergei I.; Kraus, Florian Barium bis[tetrafluoridobromate(III)] IUCrData 6(7) (2021) x210735
Space group: I -4
Cell volume: 738.05
Cell parameters: 9.5823; 9.5823; 8.038; 90; 90; 90;

COD ID: 1564703
CIF file	Formula: - C56 H88 Cl6 F4 In12 N8 O26 - Comments: Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications Chemical Science (2021) Space group: I -4 Cell volume: 4971.04 Cell parameters: 15.9744; 15.9744; 19.4804; 90; 90; 90;

COD ID: 1564704
CIF file	Formula: - C56 H68 Br6 In12 N12 O34 - Comments: Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications Chemical Science (2021) Space group: I -4 Cell volume: 5295.7 Cell parameters: 16.1018; 16.1018; 20.4257; 90; 90; 90;

COD ID: 1564705
CIF file	Formula: - C56 H88 Cl6 In12 N12 O34 - Comments: Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications Chemical Science (2021) Space group: I -4 Cell volume: 5206.63 Cell parameters: 15.9892; 15.9892; 20.3659; 90; 90; 90;

COD ID: 1565653
CIF file	Formula: - C14 H6 N2 O12 Tb1.38 - Comments: Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks Inorganica Chimica Acta 500 (2020) 119236 Space group: I -4 Cell volume: 3284.5 Cell parameters: 15.0088; 15.0088; 14.5806; 90; 90; 90;

COD ID: 1565654

Formula: - C14 H6 Ho1.38 N2 O12 -
Comments: Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks Inorganica Chimica Acta 500 (2020) 119236
Space group: I -4
Cell volume: 3279.14
Cell parameters: 14.9801; 14.9801; 14.6127; 90; 90; 90;

COD ID: 1565655
CIF file	Formula: - C14 H6 Er1.38 N2 O12 - Comments: Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks Inorganica Chimica Acta 500 (2020) 119236 Space group: I -4 Cell volume: 3265.81 Cell parameters: 14.951; 14.951; 14.61; 90; 90; 90;

COD ID: 1567934
CIF file	Formula: - F13 Sb4 Tl - Comments: Udovenko, A. A. Crystal Structure of Thallium Tridecafluorotetraantimonate(III) TlSb4F13 Russian Journal of Coordination Chemistry 29(5) (2003) 310-311 Space group: I -4 Cell volume: 611.6 Cell parameters: 9.634; 9.634; 6.59; 90; 90; 90;

COD ID: 1569568

Formula: - C50 H67.69 Cl1.25 F3 I2 N2.25 -
Comments: Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B. The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond. Chemical science 14(33) (2023) 8924-8935
Space group: I -4
Cell volume: 11407.1
Cell parameters: 36.9115; 36.9115; 8.3724; 90; 90; 90;

COD ID: 1569741

Formula: - C28 H22 Fe N8 -
Comments: Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited. Chemical science 14(37) (2023) 10129-10139
Space group: I -4
Cell volume: 1258.77
Cell parameters: 8.3614; 8.3614; 18.0048; 90; 90; 90;

COD ID: 1569778
CIF file Original IUCr paper	Formula: - C5 H13 Cl2 N - Comments: Bond, Marcus R.; Silwal, Sajan 3-Chloro-<i>N</i>,<i>N</i>-di-methyl-propan-1-aminium chloride. IUCrData 8(Pt 1) (2023) x230015 Space group: I -4 Cell volume: 1770.79 Cell parameters: 15.9302; 15.9302; 6.9779; 90; 90; 90;

COD ID: 1570991

Formula: - C208 H216 B4 Fe4 N28 O12 -
Comments: Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site. Chemical science 15(11) (2024) 4095-4105
Space group: I -4
Cell volume: 10393.1
Cell parameters: 26.5624; 26.5624; 14.7302; 90; 90; 90;

COD ID: 1571252

Formula: - C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -
Comments: Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines. Chemical science 15(15) (2024) 5496-5506
Space group: I -4
Cell volume: 5195.7
Cell parameters: 22.4512; 22.4512; 10.3077; 90; 90; 90;

COD ID: 2000021

Formula: - C65 H137 N13 S8 W6 -
Comments: Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J. An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~ Inorganic Chemistry 38(4) (1999) 828-830
Space group: I -4
Cell volume: 8524
Cell parameters: 19.432; 19.432; 22.574; 90; 90; 90;

COD ID: 2000063
CIF file	Formula: - C8 H32 N4 O16 P4 - Comments: Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of ethanolammonium cyclo-tetraphosphate Acta Crystallographica, Section C: Crystal Structure Communications 44(8) (1988) 1416-1418 Space group: I -4 Cell volume: 1162.96 Cell parameters: 10.746; 10.746; 10.071; 90; 90; 90;

COD ID: 2002610

Formula: - Ag Mo2 O8 Sm -
Comments: Rath, M; Mueller-Buschbaum, Hk Zur Kristallstruktur von Silber-Lanthanoid-Oxomolybdaten Ag Ln Mo2 O8: Einkristalluntersuchungen an Ag Sm Mo2 O8 und Ag Yb Mo2 O8 mit einer Notiz ueber mikrokristallines Material fuer Ln= Y, La Journal of Alloys Compd. 198 (1993) 193-196
Space group: I -4
Cell volume: 321.4
Cell parameters: 5.2634; 5.2634; 11.6032; 90; 90; 90;

COD ID: 2002611

Formula: - Ag Mo2 O8 Yb -
Comments: Rath, M; Mueller-Buschbaum, Hk Zur Kristallstruktur von Silber-Lanthanoid-Oxomolybdaten Ag Ln Mo2 O8: Einkristalluntersuchungen an Ag Sm Mo2 O8 und Ag Yb Mo2 O8 mit einer Notiz ueber mikrokristallines Material fuerLn= Y, La Journal of Alloys Compd. 198 (1993) 193-196
Space group: I -4
Cell volume: 305
Cell parameters: 5.1805; 5.1805; 11.3663; 90; 90; 90;

COD ID: 2003022
CIF file	Formula: - Ca8 Ga8 H8 O32 Si4 - Comments: Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. Acta Crystallographica, Section B 54 (1998) 558-563 Space group: I -4 Cell volume: 713.22 Cell parameters: 8.9346; 8.9346; 8.9346; 90; 90; 90;

COD ID: 2003023
CIF file	Formula: - Ca8 Ga8 H8 O32 Si4 - Comments: Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. Acta Crystallographica, Section B 54 (1998) 558-563 Space group: I -4 Cell volume: 713.2 Cell parameters: 8.9345; 8.9345; 8.9345; 90; 90; 90;

COD ID: 2003028
CIF file Original IUCr paper	Formula: - C44 H60 Zr - Comments: Tedesco, C.; Immirzi, A.; Proto, A. Structures of Homoleptic Benzyl Derviatives of Zirconium Acta Crystallographica Section B 54(4) (1998) 431-437 Space group: I -4 Cell volume: 1936.9 Cell parameters: 16.481; 16.481; 7.131; 90; 90; 90;

COD ID: 2004295
CIF file Original IUCr paper	Formula: - C13 H18 O - Comments: Bohnen, F. M.; Maier, W. F.; Krüger, C. Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol Acta Crystallographica Section C 51(12) (1995) 2639-2641 Space group: I -4 Cell volume: 2130.6 Cell parameters: 15.515; 15.515; 8.851; 90; 90; 90;

COD ID: 2005512
CIF file Original IUCr paper	Formula: - C7 H8 N2 - Comments: Barker, J.; Phillips, P. R.; Wallbridge, M. G. H.; Powell, H. R. Benzamidine Acta Crystallographica Section C 52(10) (1996) 2617-2619 Space group: I -4 Cell volume: 1307.4 Cell parameters: 15.7353; 15.7353; 5.2803; 90; 90; 90;

COD ID: 2005820
CIF file Original IUCr paper	Formula: - C24 H20 Cl O4 P - Comments: Vittal, J. J.; Dean, P. A. W. Tetraphenylphosphonium Perchlorate Acta Crystallographica Section C 52(12) (1996) 3185-3188 Space group: I -4 Cell volume: 1102.2 Cell parameters: 12.383; 12.383; 7.188; 90; 90; 90;

COD ID: 2006033
CIF file Original IUCr paper	Formula: - C24 H21 P S4 W - Comments: Parvez, M.; Boorman, P. M.; Wang, M. Tetraphenylphosphonium (Hydrogensulfido-<i>S</i>)trisulfidotungstate(VI) Acta Crystallographica Section C 53(4) (1997) 413-414 Space group: I -4 Cell volume: 1206.24 Cell parameters: 12.995; 12.995; 7.143; 90; 90; 90;

COD ID: 2006250

Formula: - C33 H48 O Si2 -
Comments: Leigh, William J.; Kroll, Elizabeth C.; Toltl, Nicholas P.; Britten, James F. [2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-tert-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane Acta Crystallographica Section C 53(6) (1997) IUC9700006
Space group: I -4
Cell volume: 6368
Cell parameters: 25.977; 25.978; 9.437; 90; 90; 90;

COD ID: 2007330

Formula: - C29.25 H40.25 Br2 Cl0.75 -
Comments: Mario Leclerc; Maxime Ranger; Francine Bélanger-Gariépy 2,7-Dibromo-9,9-dioctylfluorene‒Chloroform (1/0.25) Acta Crystallographica Section C 54(6) (1998) 799-801
Space group: I -4
Cell volume: 5787
Cell parameters: 18.871; 18.871; 16.249; 90; 90; 90;

COD ID: 2007563

Formula: - C24 H20 Al Cl4 P -
Comments: Neil Burford; Daren J. LeBlanc; Alan J. Lough Tetraphenylphosphonium Tetrachloroaluminate Acta Crystallographica Section C 54(8) (1998) IUC9800040
Space group: I -4
Cell volume: 1185.6
Cell parameters: 12.9452; 12.9452; 7.0747; 90; 90; 90;

COD ID: 2008857
CIF file Original IUCr paper	Formula: - C4 Hg N4 S4 Zn - Comments: Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Yuan, Duo-Rong; Lu, Meng-Kai; Yang, Ping; Guo, Shi-Yi; Meng, Fan-Qing; Jiang, Min-Hua Zinc mercury thiocyanate (ZMTC) Acta Crystallographica Section C 55(8) (1999) 1203-1205 Space group: I -4 Cell volume: 546.36 Cell parameters: 11.0912; 11.0912; 4.4414; 90; 90; 90;

COD ID: 2008877

Formula: - C4 Cd N4 S4 Zn -
Comments: Tian, Yu-Peng; Yu, Wen-Tao; Fang, Qi; Wang, Xin-Qiang; Yuan, Duo-Rong; Xu, Dong; Jiang, Min-Hua Zinc cadmium thiocyanate (ZCTC) Acta Crystallographica Section C 55(9) (1999) 1393-1395
Space group: I -4
Cell volume: 542.57
Cell parameters: 11.135; 11.135; 4.376; 90; 90; 90;

COD ID: 2009696
CIF file Original IUCr paper	Formula: - C19 H19 Br O2 - Comments: Lloyd, B.A.; Arif, A.M.; Coots, R.J.; Allred, E.L. Structural investigations of a tetracyclic <i>endo</i>-norborenyl derivative Acta Crystallographica Section C 50(5) (1994) 777-781 Space group: I -4 Cell volume: 3123.3 Cell parameters: 22.461; 22.461; 6.191; 90; 90; 90;

COD ID: 2010033
CIF file Original IUCr paper	Formula: - C24 H22 Cr O4 P - Comments: Alok K. Mukherjee; Anuradha Mukhopadhaya; Monika Mukherjee; Siddhartha Ray Two mononuclear tetraphenylphosphonium oxochromium complexes: (PPh~4~)[Cr^V^O~3~(H~2~O)] and (PPh~4~)[Cr^VI^O~3~(OH)] Acta Crystallographica Section C 50(9) (1994) 1401-1404 Space group: I -4 Cell volume: 1096.8 Cell parameters: 12.25; 12.25; 7.309; 90; 90; 90;

COD ID: 2010034
CIF file Original IUCr paper	Formula: - C24 H21 Cr O4 P - Comments: Alok K. Mukherjee; Anuradha Mukhopadhaya; Monika Mukherjee; Siddhartha Ray Two mononuclear tetraphenylphosphonium oxochromium complexes: (PPh~4~)[Cr^V^O~3~(H~2~O)] and (PPh~4~)[Cr^VI^O~3~(OH)] Acta Crystallographica Section C 50(9) (1994) 1401-1404 Space group: I -4 Cell volume: 1110.9 Cell parameters: 12.306; 12.306; 7.336; 90; 90; 90;

COD ID: 2011238

Formula: - C25 H20 Cl4 O8 S4 Si -
Comments: Han, Bong-Hwan; Choi, Moon-Gun Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate Acta Crystallographica Section C 56(8) (2000) 1001-1003
Space group: I -4
Cell volume: 1538.31
Cell parameters: 13.1846; 13.1846; 8.8493; 90; 90; 90;

COD ID: 2011580

Formula: - C24 H20 Cl O4 P -
Comments: Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S. Phase change in tetraphenylphosphonium perchlorate Acta Crystallographica Section C 56(11) (2000) 1394-1395
Space group: I -4
Cell volume: 3998.24
Cell parameters: 17.0481; 17.0481; 13.7568; 90; 90; 90;

COD ID: 2011772

Formula: - C8 H16 Hg Mn N12 S8 -
Comments: Yu, Wen Tao; Wang, Xin Qiang; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong Tetrathioureamercury(II) tetrathiocyanatomanganate(II) Acta Crystallographica Section C 57(2) (2001) 145-146
Space group: I -4
Cell volume: 1268.46
Cell parameters: 17.4297; 17.4297; 4.1754; 90; 90; 90;

COD ID: 2012122

Formula: - C36 H18 D54 Mn12 O56 -
Comments: Langan, Paul; Robinson, Robert, A.; Brown, P. Jane; Argyriou, Dimitri, N.; Hendrickson, David, N.; Christou, George A low-temperature neutron diffraction study of Mn~12~-acetate Acta Crystallographica Section C 57(8) (2001) 909-910
Space group: I -4
Cell volume: 3593
Cell parameters: 17.123; 17.123; 12.255; 90; 90; 90;

COD ID: 2012695

Formula: - C26 H21 Mn O11 S3 Sn -
Comments: Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R. Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure Acta Crystallographica Section C 58(5) (2002) m297-m299
Space group: I -4
Cell volume: 6019.37
Cell parameters: 22.4188; 22.4188; 11.9764; 90; 90; 90;

COD ID: 2012808

Formula: - C36 H72 Mn12 O56 -
Comments: Cornia, Andrea; Fabretti, Antonio Costantino; Sessoli, Roberta; Sorace, Lorenzo; Gatteschi, Dante; Barra, Anne-Laure; Daiguebonne, Carole; Roisnel, Thierry Disorder effects in Mn~12~‒acetate at 83K Acta Crystallographica Section C 58(7) (2002) m371-m373
Space group: I -4
Cell volume: 3611.39
Cell parameters: 17.1668; 17.1668; 12.2545; 90; 90; 90;

COD ID: 2013040

Formula: - C23 H28 O4 -
Comments: Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre (±)-6-tert-Butyl-8-hydroxymethyl-2-phenyl-4H-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-1,3-benzodioxin) Acta Crystallographica Section C 58(11) (2002) o649-o651
Space group: I -4
Cell volume: 3936.7
Cell parameters: 20.5349; 20.5349; 9.3356; 90; 90; 90;

COD ID: 2013340

Formula: - C8 H60 N24 O46 Pt2 Si W10 -
Comments: Lee, Uk; Joo, Hea-Chung; Park, Ki-Min; Ozeki, Tomoji Synchrotron structure determination of an α-Keggin doubly Pt^IV^-substituted silicotungstate, (CH~6~N~3~)~8~[α-SiPt~2~W~10~O~40~]·6H~2~O Acta Crystallographica Section C 59(4) (2003) m152-m155
Space group: I -4
Cell volume: 3341.6
Cell parameters: 13.276; 13.276; 18.959; 90; 90; 90;

COD ID: 2013598

Formula: - C24 H20 As I -
Comments: Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G. Tetraphenylarsonium iodide, a new determination Acta Crystallographica Section C 59(11) (2003) m484-m486
Space group: I -4
Cell volume: 1020.4
Cell parameters: 12.174; 12.174; 6.885; 90; 90; 90;

COD ID: 2014789

Formula: - C10 H32 B2 Na2 O10 -
Comments: Gainsford, Graeme J.; Kemmitt, Tim Poly[di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato-disodium(I)] Acta Crystallographica Section C 61(4) (2005) m206-m208
Space group: I -4
Cell volume: 4286
Cell parameters: 22.0496; 22.0496; 8.8155; 90; 90; 90;

COD ID: 2018107

Formula: - Mo4.24 O16 Pb3.76 -
Comments: Cora, Ildikó; Czugler, Mátyás; Dódony, István; Rečnik, Aleksander On the symmetry of wulfenite (Pb[MoO~4~]) from Mežica (Slovenia) Acta Crystallographica Section C 67(6) (2011) i33-i35
Space group: I -4
Cell volume: 358.87
Cell parameters: 5.442; 5.442; 12.1177; 90; 90; 90;

COD ID: 2018768

Formula: - C88 H68 Cd4 Cl4 N12 O34 -
Comments: Liu, Ming-Liang; Ye, Qiong A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand Acta Crystallographica Section C 69(1) (2013) 17-20
Space group: I -4
Cell volume: 9128
Cell parameters: 27.838; 27.838; 11.779; 90; 90; 90;

COD ID: 2019392

Formula: - C17 H20 Cl4 N8 Zn2 -
Comments: Su, Jian; Yao, Liu-Di; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng Poly[tetrachlorido{μ~4~-tetrakis[(imidazol-1-yl)methyl]methane-κ^4^N^3^:N^3'^:N^3''^:N^3'''^}dizinc(II)] exhibiting a three-dimensional diamond topology Acta Crystallographica Section C 70(2) (2014) 194-197
Space group: I -4
Cell volume: 2370
Cell parameters: 15.119; 15.119; 10.368; 90; 90; 90;

COD ID: 2020793

Formula: - C16 H13 F5 N2 O4 S -
Comments: Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates Acta Crystallographica Section C 73(8) (2017)
Space group: I -4
Cell volume: 3422.44
Cell parameters: 21.6747; 21.6747; 7.285; 90; 90; 90;

COD ID: 2021038

Formula: - C38 H26 N10 Ni O4 S -
Comments: Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion Acta Crystallographica Section C 74(3) (2018)
Space group: I -4
Cell volume: 11075.2
Cell parameters: 28.596; 28.596; 13.5438; 90; 90; 90;

COD ID: 2021742

Formula: - C6 H6 N4 S6 Zn -
Comments: Zhang, Jun; Ma, Xiaofan; Kong, Weili; Xie, Fazhi; Yuan, Shizhen; Song, Xiaojie; Lu, Zhansheng; Xuan, Xiaopeng A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione Acta Crystallographica Section C 75(9) (2019)
Space group: I -4
Cell volume: 2865.2
Cell parameters: 18.1367; 18.1367; 8.7103; 90; 90; 90;

COD ID: 2022073

Formula: - C1.25 H3 O -
Comments: Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 76(3) (2020)
Space group: I -4
Cell volume: 314.752
Cell parameters: 6.0867; 6.0867; 8.4958; 90; 90; 90;

COD ID: 2100073
CIF file Original IUCr paper	Formula: - C46 H46 O8 - Comments: Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B 61(3) (2005) 359-359 Space group: I -4 Cell volume: 1953.56 Cell parameters: 19.86; 19.86; 4.953; 90; 90; 90;

COD ID: 2100483

Formula: - C5 H12 O4 -
Comments: Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study Acta Crystallographica Section B 62(3) (2006) 513-520
Space group: I -4
Cell volume: 314.752
Cell parameters: 6.0867; 6.0867; 8.4958; 90; 90; 90;

COD ID: 2100762
CIF file Original IUCr paper	Formula: - C11 H19 Br O - Comments: Fallon, G. D.; Gatehouse, B. M.; Middleton, S.; Vanni, S. P. Structure of the bromohydrin of an octahydronaphthalene derivative Acta Crystallographica Section B 48(2) (1992) 227-230 Space group: I -4 Cell volume: 2383 Cell parameters: 14.146; 14.146; 11.91; 90; 90; 90;

COD ID: 2101361
CIF file Original IUCr paper	Formula: - C5 H12 O4 - Comments: Katrusiak, A. High-pressure X-ray diffraction study of pentaerythritol Acta Crystallographica Section B 51(5) (1995) 873-879 Space group: I -4 Cell volume: 299.33 Cell parameters: 6.0173; 6.0173; 8.267; 90; 90; 90;

COD ID: 2101914

Formula: - C48 H40 B P -
Comments: Lloyd, M. A.; Brock, C. P. [MPh~4~][BPh~4~], M = P, As and Sb Acta Crystallographica Section B 53(5) (1997) 773-779
Space group: I -4
Cell volume: 3542.6
Cell parameters: 15.796; 15.796; 14.198; 90; 90; 90;

COD ID: 2101915

Formula: - C48 H40 As B -
Comments: Lloyd, M. A.; Brock, C. P. [MPh~4~][BPh~4~], M = P, As and Sb Acta Crystallographica Section B 53(5) (1997) 773-779
Space group: I -4
Cell volume: 3571.1
Cell parameters: 15.936; 15.936; 14.062; 90; 90; 90;

COD ID: 2101916

Formula: - C48 H40 B Sb -
Comments: Lloyd, M. A.; Brock, C. P. [MPh~4~][BPh~4~], M = P, As and Sb Acta Crystallographica Section B 53(5) (1997) 773-779
Space group: I -4
Cell volume: 3628.3
Cell parameters: 16.272; 16.272; 13.703; 90; 90; 90;

COD ID: 2102094
CIF file Original IUCr paper	Formula: - C5 H6 N2 - Comments: Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H. Determining the crystal structure of twinned 2-methylpyrazine Acta Crystallographica Section B 56(4) (2000) 677-681 Space group: I -4 Cell volume: 2070.9 Cell parameters: 13.799; 13.799; 10.876; 90; 90; 90;

COD ID: 2102095
CIF file Original IUCr paper	Formula: - C5 H6 N2 - Comments: Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H. Determining the crystal structure of twinned 2-methylpyrazine Acta Crystallographica Section B 56(4) (2000) 677-681 Space group: I -4 Cell volume: 2045.6 Cell parameters: 13.725; 13.725; 10.859; 90; 90; 90;

COD ID: 2102675
CIF file Original IUCr paper	Formula: - C16 H16 B Li O20 - Comments: Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley Structural chemistry of new lithium bis(oxalato)borate solvates Acta Crystallographica Section B 60(6) (2004) 716-724 Space group: I -4 Cell volume: 1133.77 Cell parameters: 10.2343; 10.2343; 10.8245; 90; 90; 90;

COD ID: 2105338
CIF file	Formula: - Ag Bi Cr2 O8 - Comments: Riou, A.; Roult, G. Etude par diffraction neutronique en tempy de vol de la structure cristalline Acta Crystallographica B (24,1968-38,1982) 35 (1979) 2494-2499 Space group: I -4 Cell volume: 310.534 Cell parameters: 5.1064; 5.1064; 11.9091; 90; 90; 90;

COD ID: 2106408
CIF file	Formula: - O107 Rb22 W32 - Comments: Okada, K.; Marumo, F.; Iwai, S.I. The crystal structure of Rb22 W32 O107 Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3345-3349 Space group: I -4 Cell volume: 2574.37 Cell parameters: 15.966; 15.966; 10.099; 90; 90; 90;

COD ID: 2106498
CIF file	Formula: - In P S4 - Comments: Diehl, R.; Carpentier, C.D. The structural chemistry of indium phosphorous chalkogenides Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1097-1105 Space group: I -4 Cell volume: 286.397 Cell parameters: 5.623; 5.623; 9.058; 90; 90; 90;

COD ID: 2201345

Formula: - C17 H16 N2 O2 -
Comments: Daniel E. Lynch; Ian McClenaghan 2-Phenylpyrrolo[2,3-h]quinoline dihydrate Acta Crystallographica Section E 58(10) (2002) o1150-o1151
Space group: I -4
Cell volume: 2878
Cell parameters: 24.758; 24.758; 4.6952; 90; 90; 90;

COD ID: 2201973

Formula: - C29 H28 O4 -
Comments: Laliberté, Dominic; Maris, Thierry; Wuest, James D. 1,3-Diphenoxy-2,2-bis(phenoxymethyl)propane Acta Crystallographica Section E 59(6) (2003) o799-o801
Space group: I -4
Cell volume: 1265.01
Cell parameters: 12.2242; 12.2242; 8.4655; 90; 90; 90;

COD ID: 2203984
CIF file Original IUCr paper	Formula: - C17 H14 N2 O2 - Comments: Gao, Shan; Zhao, Hui; Huo, Li-Hua; Gao, Jin-Shan; Zain, Sharifuddin M.; Ng, Seik Weng 4,5-Diphenyl-1H-imidazole-1-acetic acid Acta Crystallographica, Section E 60(8) (2004) o1390-o1392 Space group: I -4 Cell volume: 3008 Cell parameters: 23.048; 23.048; 5.663; 90; 90; 90;

COD ID: 2204007

Formula: - C28 H32 Cl Cu N8 S4 -
Comments: Yu Liu; Duan-Jun Xu Tetrakis(phenylthiourea-κS)copper(I) chloride Acta Crystallographica Section E 60(8) (2004) m1057-m1059
Space group: I -4
Cell volume: 1696.37
Cell parameters: 11.4847; 11.4847; 12.8612; 90; 90; 90;

COD ID: 2204855

Formula: - C32 H20 Ge -
Comments: Churakov, Andrei V.; Karlov, Sergey S.; Yakubova, Elmira Kh.; Selina, Anastasia A.; Zaitseva, Galina S. Tetrakis(phenylethynyl)germanium(IV) Acta Crystallographica Section E 61(1) (2005) m52-m54
Space group: I -4
Cell volume: 1235.3
Cell parameters: 13.532; 13.532; 6.746; 90; 90; 90;

COD ID: 2205173

Formula: - Ge Hg2 Se4 -
Comments: Yongkwan Dong; Sangrok Kim; Hoseop Yun Reinvestigation of Hg~2~GeSe~4~ based on single-crystal data Acta Crystallographica Section E 61(2) (2005) i9-i11
Space group: I -4
Cell volume: 362.2
Cell parameters: 5.6741; 5.6741; 11.249; 90; 90; 90;

COD ID: 2205732

Formula: - C41 H32 Cl4 N4 O2 S -
Comments: Hu, Xiao-Fen; Feng, Ya-Qing; Liu, Xin-Gang; Qiao, Kang-Jian 10''-(4-Chlorobenzylidene)-5''-(4-chlorophenyl)-4'-(2,4-dichlorophenyl)-1'-methyl-2,3,2'',3'',7'',8'',9'',10''-octahydro-1H,5''H,6''H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-cyclohepteno[1,2-d]thiazolo[3,2-a]pyrimidine-2,3''-dione Acta Crystallographica Section E 61(5) (2005) o1411-o1413
Space group: I -4
Cell volume: 7476.5
Cell parameters: 25.035; 25.035; 11.929; 90; 90; 90;

COD ID: 2205771

Formula: - C28 H16 F12 Sn -
Comments: Young, David J.; Manuaba, Putra; Healy, Peter C.; Tiekink, Edward R. T. Tetrakis[4-(trifluoromethyl)phenyl]stannane Acta Crystallographica Section E 61(5) (2005) m956-m957
Space group: I -4
Cell volume: 1406.2
Cell parameters: 14.748; 14.748; 6.465; 90; 90; 90;

COD ID: 2206021

Formula: - C4 Cd Hg N4 Se4 -
Comments: Sun, Hai-Qing; Yu, Wen-Tao; Yuan, Duo-Rong; Wang, Xin-Qiang; Xue, Gang Cadmium mercury selenocyanate, CdHg(SeCN)~4~ Acta Crystallographica Section E 61(6) (2005) i111-i112
Space group: I -4
Cell volume: 612.44
Cell parameters: 11.6495; 11.6495; 4.5128; 90; 90; 90;

COD ID: 2207152

Formula: - C6 H20 Ge4 Mn N2 Se10 -
Comments: Tobias van Almsick; William S. Sheldrick Bis(trimethylammonium) decaselenidotetragermanatomanganate(II) Acta Crystallographica Section E 61(11) (2005) m2348-m2350
Space group: I -4
Cell volume: 1353.1
Cell parameters: 9.559; 9.559; 14.808; 90; 90; 90;

COD ID: 2207988

Formula: - C29 H40 Br2 -
Comments: McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C. 2,7-Dibromo-9,9-di-n-octyl-9H-fluorene Acta Crystallographica Section E 62(2) (2006) o859-o861
Space group: I -4
Cell volume: 5683.8
Cell parameters: 18.7019; 18.7019; 16.2506; 90; 90; 90;

COD ID: 2208295

Formula: - C4 Co Hg N4 Se4 -
Comments: Sheng-Li Li; Hoong-Kun Fun; Suchada Chantrapromma; Jie-Ying Wu; Yu-Peng Tian Cobalt mercury tetraselenocyanate, CoHg(SeCN)~4~ Acta Crystallographica Section E 62(3) (2006) i47-i49
Space group: I -4
Cell volume: 588
Cell parameters: 11.281; 11.281; 4.6207; 90; 90; 90;

COD ID: 2208502
CIF file Original IUCr paper	Formula: - C4 Cd N4 Se4 Zn - Comments: Hai-Qing Sun; Wen-Tao Yu; Duo-Rong Yuan; Xin-Qiang Wang; Li-Qiang Liu Zinc cadmium selenocyanate Acta Crystallographica Section E 62(4) (2006) i88-i90 Space group: I -4 Cell volume: 594.63 Cell parameters: 11.331; 11.331; 4.6314; 90; 90; 90;

COD ID: 2208936

Formula: - C76 H76 Cu2 Mo O4 P4 S4 -
Comments: Niu, Yun-Yin; Shui, You-Qin; Yang, Rui; Ng, Seik Weng Tetrakis(benzyldiphenylphosphine-κP)tetra-μ~2~-sulfido-dicopper(I)molybdenum(VI) tetrahydrate Acta Crystallographica Section E 62(5) (2006) m939-m941
Space group: I -4
Cell volume: 4364.6
Cell parameters: 13.777; 13.777; 22.995; 90; 90; 90;

COD ID: 2209332

Formula: - C19 H36 O2 Sn -
Comments: Ahmad, Aftab; Khan, Azim; Ali, Saqib; Parvez, Masood catena-Poly[[tri-n-butyltin(IV)]-μ-cyclopent-2-enylacetato-κ^2^O:O'] Acta Crystallographica Section E 62(6) (2006) m1192-m1194
Space group: I -4
Cell volume: 4249
Cell parameters: 20.559; 20.559; 10.053; 90; 90; 90;

COD ID: 2210622

Formula: - C8 H16 Ca K2 O24 Zr -
Comments: Yang, Jun-Ying; Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng Calcium dipotassium tetraoxalatozirconate(IV) octahydrate Acta Crystallographica Section E 62(10) (2006) m2424-m2426
Space group: I -4
Cell volume: 1147.48
Cell parameters: 11.342; 11.342; 8.92; 90; 90; 90;

COD ID: 2212298
CIF file Original IUCr paper	Formula: - C4 Hg Mn N4 Se4 - Comments: Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Sun, Haiqing; Liu, Wei Liang Manganese mercury selenocyanate, MnHg(SeCN)~4~ Acta Crystallographica, Section E 63(2) (2007) i48-i49 Space group: I -4 Cell volume: 600.96 Cell parameters: 11.4545; 11.4545; 4.5803; 90; 90; 90;

COD ID: 2212949

Formula: - C28 H42 N4 Ni O2 S4 -
Comments: Ligia R. Gomes.; Luis M. N. B. F. Santos; Schröder, B.; Wagner, Ch.; Low, John N. Bis[N,N-diisobutyl-N'-(2-thienylcarbonyl)thioureato]nickel(II) Acta Crystallographica Section E 63(4) (2007) m953-m955
Space group: I -4
Cell volume: 3495
Cell parameters: 13.077; 13.077; 20.44; 90; 90; 90;

COD ID: 2212950

Formula: - C28 H42 Cu N4 O2 S4 -
Comments: Ligia R. Gomes.; Luis M. N. B. F. Santos; Schröder, B.; Wagner, Ch.; Low, John N. Bis[N,N-diisobutyl-N'-(2-thienylcarbonyl)thioureato]copper(II) Acta Crystallographica Section E 63(4) (2007) m956-m958
Space group: I -4
Cell volume: 3511.9
Cell parameters: 13.1693; 13.1693; 20.2499; 90; 90; 90;

COD ID: 2213937

Formula: - C20 H20 Cu F6 N4 P -
Comments: Gordan Horvat; Tomislav Portada; Vladimir Stilinović; Vladislav Tomišić Tetrapyridinecopper(I) hexafluoridophosphate(V) Acta Crystallographica Section E 63(6) (2007) m1734-m1734
Space group: I -4
Cell volume: 1126.9
Cell parameters: 12.6; 12.6; 7.0983; 90; 90; 90;

COD ID: 2214082

Formula: - C40 H60 Cl4 Ru4 -
Comments: Jones, Peter G.; Hrib, Cristian G.; Beer, Stephan; Tamm, Matthias A tetragonal polymorph of tetra-μ~3~-chlorido-tetrakis[(η^5^-pentamethylcyclopentadienyl)ruthenium(II)] Acta Crystallographica Section E 63(7) (2007) m1785-m1785
Space group: I -4
Cell volume: 2180.8
Cell parameters: 12.0733; 12.0733; 14.9611; 90; 90; 90;

COD ID: 2215802

Formula: - C32 H20 Sn -
Comments: Lahcini, Mohammed; Räisänen, Minna T.; Castro, Pascal M.; Klinga, Martti; Leskelä, Markku Tetrakis(phenylethynyl)tin(IV) Acta Crystallographica Section E 63(11) (2007) m2762-m2762
Space group: I -4
Cell volume: 3766.1
Cell parameters: 13.689; 13.689; 20.098; 90; 90; 90;

COD ID: 2219805

Formula: - C20 H20 S4 Sn -
Comments: Yap, Quai Ling; Lo, Kong Mun; Ng, Seik Weng Tetrakis(4-methyl-2-thienyl)tin(IV) Acta Crystallographica Section E 64(11) (2008) m1410
Space group: I -4
Cell volume: 1026.6
Cell parameters: 11.6286; 11.6286; 7.5918; 90; 90; 90;

COD ID: 2221269

Formula: - C14 H15 N2 O12 Tb -
Comments: Li, Sheng; Zhang, Fu-Li; Wang, Shou-Bin; Bai, Hui-Ling catena-Poly[[[diaquaterbium(III)]-μ-6-carboxynicotinato-μ-pyridine-2,5-dicarboxylato] dihydrate] Acta Crystallographica Section E 65(4) (2009) m410
Space group: I -4
Cell volume: 3391.1
Cell parameters: 15.107; 15.107; 14.8587; 90; 90; 90;

COD ID: 2221590

Formula: - C16 H36 B Na O4 -
Comments: Gainsford, Graeme J.; Kemmitt, Tim catena-Poly[sodium(I)-μ-tetrabutoxyborato] Acta Crystallographica Section E 65(5) (2009) m496
Space group: I -4
Cell volume: 1024.2
Cell parameters: 13.3552; 13.3552; 5.7422; 90; 90; 90;

COD ID: 2226240

Formula: - C42 H40 O6 Sn2 -
Comments: Win, Yip Foo; Teoh, Siang Guan; Vikneswaran, M. R.; Goh, Jia Hao; Fun, Hoong-Kun Poly[[aquadi-μ~3~-malonato-hexaphenylditin(IV)] acetone solvate] Acta Crystallographica Section E 66(6) (2010) m695-m696
Space group: I -4
Cell volume: 7714.2
Cell parameters: 23.604; 23.604; 13.8458; 90; 90; 90;

COD ID: 2226545

Formula: - C27 H22 Cl2 O5 -
Comments: Mitsui, Ryosuke; Nagasawa, Atsushi; Noguchi, Keiichi; Okamoto, Akiko; Yonezawa, Noriyuki 1,8-Bis(4-chlorobenzoyl)-7-methoxynaphthalen-2-ol ethanol monosolvate Acta Crystallographica Section E 66(7) (2010) o1790
Space group: I -4
Cell volume: 4676.71
Cell parameters: 25.2992; 25.2992; 7.3068; 90; 90; 90;

COD ID: 2226559

Formula: - C15 H18 N2 O4 S -
Comments: Lin, Jin Rui 4-(Cyanomethyl)anilinium 4-methylbenzenesulfonate monohydrate Acta Crystallographica Section E 66(7) (2010) o1557
Space group: I -4
Cell volume: 3126.6
Cell parameters: 22.931; 22.931; 5.946; 90; 90; 90;

COD ID: 2228992

Formula: - C26 H36 N2 O4 S2 -
Comments: Wei, Xinting; Li, Jing; Yin, Handong Bis(cyclohexylammonium) 2,2'-disulfanediyldibenzoate Acta Crystallographica Section E 67(2) (2011) o319
Space group: I -4
Cell volume: 2724.5
Cell parameters: 11.6411; 11.6411; 20.105; 90; 90; 90;

COD ID: 2231883

Formula: - C52 H44 Cl6 Cu4 N12 O -
Comments: Li, Hui; Jiang, Hongshi; Sun, Hong Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]-1H-benzimidazole-κN^3^}copper(II)) Acta Crystallographica Section E 67(10) (2011) m1372
Space group: I -4
Cell volume: 2784.1
Cell parameters: 13.8532; 13.8532; 14.507; 90; 90; 90;

COD ID: 2231898

Formula: - C32 H46 N4 O2 Pd S2 -
Comments: Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T. Bis(3-benzoyl-1,1-di-sec-butylthioureato-κ^2^O,S)palladium(II) Acta Crystallographica Section E 67(10) (2011) m1394
Space group: I -4
Cell volume: 3446.25
Cell parameters: 13.2737; 13.2737; 19.5597; 90; 90; 90;

COD ID: 2232153

Formula: - C16 H40 Br6 Mg4 O5 -
Comments: Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael The low-temperature structure of diethyl ether magnesium oxybromide Acta Crystallographica Section E 67(11) (2011) m1614
Space group: I -4
Cell volume: 1672.3
Cell parameters: 10.463; 10.463; 15.276; 90; 90; 90;

COD ID: 2237277

Formula: - Ag1.87 Cd0.03 Cu0.13 Fe0.36 S4 Sn Zn0.61 -
Comments: Schumer, Benjamin N.; Downs, Robert T.; Domanik, Kenneth J.; Andrade, Marcelo B.; Origlieri, Marcus J. Pirquitasite, Ag~2~ZnSnS~4~ Acta Crystallographica Section E 69(2) (2013) i8-i9
Space group: I -4
Cell volume: 362.61
Cell parameters: 5.7757; 5.7757; 10.87; 90; 90; 90;

COD ID: 2238469

Formula: - C4 Hg N4 Se4 Zn -
Comments: Sun, Hai-Qing; Wang, Xin-Qiang; Zhang, Wei-Wei Zinc mercury(II) tetrakis(selenocyanate) Acta Crystallographica Section E 69(9) (2013) i59
Space group: I -4
Cell volume: 596.889
Cell parameters: 11.2716; 11.2716; 4.6981; 90; 90; 90;

COD ID: 2239973

Formula: - C90 H80 Ag4 O8 P4 -
Comments: Frenzel, Peter; Jakob, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich Crystal structure of cyclo-bis(μ~4~-2,2-diallylmalonato-κ^6^O^1^,O^3^:O^3^:O^1'^,O^3'^:O^1'^)tetrakis(triphenylphosphane-κP)tetrasilver(I) Acta Crystallographica Section E 70(10) (2014) 174-177
Space group: I -4
Cell volume: 3948.13
Cell parameters: 16.0462; 16.0462; 15.3337; 90; 90; 90;

COD ID: 2240401

Formula: - C18 H20 Cl N3 S -
Comments: Al-Wabli, Reem I.; El-Emam, Ali A.; Alroqi, Obaid S.; Chidan Kumar, C. S.; Fun, Hoong-Kun Crystal structure of 3-(adamantan-1-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione Acta Crystallographica Section E 71(2) (2015) o115-o116
Space group: I -4
Cell volume: 3429.39
Cell parameters: 23.1302; 23.1302; 6.41; 90; 90; 90;

COD ID: 2241063

Formula: - C17 H30 O3 -
Comments: Schäfer, Andreas; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin Crystal structure of rac-(3aR,4S,5aR,6S,9R,10aS,10bR)-3a,5a,9-trimethyltetradecahydro-6,9-epoxycyclohepta[e]inden-4-ol monohydrate Acta Crystallographica Section E 71(9) (2015) o690-o691
Space group: I -4
Cell volume: 6207.2
Cell parameters: 25.3756; 25.3756; 9.6397; 90; 90; 90;

COD ID: 2242390

Formula: - C19 H19 N5 O2 -
Comments: Aydemir, Ercan; Kansiz, Sevgi; Gumus, Mustafa Kemal; Gorobets, Nikolay Yu.; Dege, Necmi Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazocine Acta Crystallographica Section E 74(3) (2018) 367-370
Space group: I -4
Cell volume: 3501.4
Cell parameters: 17.1509; 17.1509; 11.9033; 90; 90; 90;

COD ID: 2310145
CIF file	Formula: - Nb9 O25 P - Comments: Roth, R. S.; Wadsley, A. D.; Andersson, S. The crystal structure of PNb~9~O~25~, (P~2~O~5~ . 9Nb~2~O~5~) Acta Crystallographica 18(4) (1965) 643-647 Space group: I -4 Cell volume: 931.582 Cell parameters: 15.6; 15.6; 3.828; 90; 90; 90;

COD ID: 2310582
CIF file	Formula: - Cu7 H4 N S4 - Comments: Gattow, G. Die Kristallstruktur von N H4 Cu7 S4 Acta Crystallographica (1,1948-23,1967) 10 (1957) 549-553 Space group: I -4 Cell volume: 403.44 Cell parameters: 10.25; 10.25; 3.84; 90; 90; 90;

COD ID: 2311164

Formula: - C24 H26 F N3 O -
Comments: Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan 5-Fluoro-3-phenyl-N'-(4-propyl-cyclo-hexyl-idene)-1H-indole-2-carbohydrazide. Acta crystallographica. Section E, Structure reports online 69(Pt 8) (2013) o1202
Space group: I -4
Cell volume: 4352.6
Cell parameters: 22.6986; 22.6986; 8.448; 90; 90; 90;

COD ID: 2311545

Formula: - C44 H60 Ca Cl2 Co2 N8 O21.36 -
Comments: Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri Crystal structure of bis-{μ2-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4H-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate. Acta crystallographica. Section E, Crystallographic communications 73(Pt 12) (2017) 1959-1965
Space group: I -4
Cell volume: 2625.2
Cell parameters: 8.9799; 8.9799; 32.555; 90; 90; 90;

COD ID: 2311869

Formula: - C20 H20 F6 Li N4 P -
Comments: Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J. Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C5H5N)LiPF6, [p-(CH2=CH)C5H4N]LiPF6, [(C5H5N)LiCl]n, and [p-(CH2=CH)C5H4N]2Li(μ-Cl)2Li[p-(CH2=CH)C5H4N]2. Acta crystallographica. Section C, Structural chemistry 73(Pt 3) (2017) 264-269
Space group: I -4
Cell volume: 1074.8
Cell parameters: 12.3857; 12.3857; 7.0065; 90; 90; 90;

COD ID: 3500080
CIF file HKL data	Formula: - C12 H28 Br N - Comments: Thierry Maris Tetrapropylammonium Bromide Personal communication to COD (2019) Space group: I -4 Cell volume: 722.93 Cell parameters: 8.2048; 8.2048; 10.7389; 90; 90; 90;

COD ID: 4001743
CIF file	Formula: - B Ge Li O4 - Comments: Parise, J.B.; Gier, T.E. Hydrothermal syntheses and stuctural refinements of single crystal Li B Ge O4 and Li B Si O4 Chemistry of Materials (1,1989-) 4 (1992) 1065-1067 Space group: I -4 Cell volume: 139.845 Cell parameters: 4.5016; 4.5016; 6.901; 90; 90; 90;

COD ID: 4001745
CIF file	Formula: - B Li O4 Si - Comments: Parise, J.B.; Gier, T.E. Hydrothermal Syntheses and Stuctural Refinements of Single Crystal LiBGeO4 and LiBSiO4 Chemistry of Materials (1,1989-) 4 (1992) 1065-1067 Space group: I -4 Cell volume: 129.992 Cell parameters: 4.3792; 4.3792; 6.7784; 90; 90; 90;

COD ID: 4001785

Formula: - C16 H62 Li4 O16 Se4 Sn -
Comments: Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds Chemistry of Materials 25(15) (2013) 2961
Space group: I -4
Cell volume: 2243.3
Cell parameters: 13.73; 13.73; 11.9; 90; 90; 90;

COD ID: 4001945
CIF file	Formula: - Ag I3 O8 - Comments: Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion Chemistry of Materials 26(10) (2014) 3219 Space group: I -4 Cell volume: 1550 Cell parameters: 8.1283; 8.1283; 23.4603; 90; 90; 90;

COD ID: 4002675
CIF file	Formula: - C3.38 H0.12 Cl Cu N0.25 - Comments: Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R. Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites Chemistry of Materials 28(15) (2016) 5522 Space group: I -4 Cell volume: 2206.3 Cell parameters: 7.4676; 7.4676; 39.564; 90; 90; 90;

COD ID: 4021493
CIF file	Formula: - C9 H17 Br O - Comments: R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry 71 (2006) 1493-1501 Space group: I -4 Cell volume: 2075.69 Cell parameters: 16.422; 16.422; 7.6968; 90; 90; 90;

COD ID: 4021494
CIF file	Formula: - C10 H19 Cl O - Comments: R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry 71 (2006) 1493-1501 Space group: I -4 Cell volume: 2233.01 Cell parameters: 16.4301; 16.4301; 8.272; 90; 90; 90;

COD ID: 4022741
CIF file	Formula: - C11.25 H16.25 Cl0.75 O - Comments: Daniele Casarini; Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti Conformation and Stereodynamics of Symmetrically Ortho-Disubstituted Aryl Carbinols and Aryl Ethers Journal of Organic Chemistry 72 (2007) 998-1004 Space group: I -4 Cell volume: 2262.9 Cell parameters: 16.5954; 16.5954; 8.2166; 90; 90; 90;

COD ID: 4022743
CIF file	Formula: - C11 H20 O - Comments: Gary A. Molander; Barbara Czakó; Michael Rheam Construction of Bicyclic Ring Systems via a Transannular SmI~2~-Mediated Ketone-Olefin Cyclization Strategy Journal of Organic Chemistry 72 (2007) 1755-1764 Space group: I -4 Cell volume: 2034.2 Cell parameters: 15.694; 15.694; 8.2592; 90; 90; 90;

COD ID: 4022963
CIF file	Formula: - C15 H17 N5 O - Comments: Dimitri M. Khramov; Christopher W. Bielawski Donor-Acceptor Triazenes: Synthesis, Characterization, and Study of Their Electronic and Thermal Properties Journal of Organic Chemistry 72 (2007) 9407-9417 Space group: I -4 Cell volume: 2893.5 Cell parameters: 22.4468; 22.4468; 5.7427; 90; 90; 90;

COD ID: 4023147
CIF file	Formula: - C51.41 H41.17 N4 O2 - Comments: Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager Iptycene-Derived Pyridazines and Phthalazines Journal of Organic Chemistry 72 (2007) 10166-10180 Space group: I -4 Cell volume: 8108.5 Cell parameters: 19.1978; 19.1978; 22.0008; 90; 90; 90;

COD ID: 4023777
CIF file	Formula: - C14 H24 N2 O S2 - Comments: Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine Journal of Organic Chemistry 73 (2008) 8116-8119 Space group: I -4 Cell volume: 3273 Cell parameters: 22.3823; 22.3823; 6.5334; 90; 90; 90;

COD ID: 4023972

Formula: - C20 H32 N O3.5 -
Comments: Frank Surup; Oliver Wagner; Jan von Frieling; Michael Schleicher; Stefanie Oess; Peter Müller; Stephanie Grond The Iromycins, a New Family of Pyridone Metabolites from Streptomyces sp. I. Structure, NOS Inhibitory Activity, and Biosynthesis Journal of Organic Chemistry 72 (2007) 5085-5090
Space group: I -4
Cell volume: 4202.6
Cell parameters: 13.7063; 13.7063; 22.371; 90; 90; 90;

COD ID: 4024356
CIF file	Formula: - C52 H104 Cl5 N4 Na O8 - Comments: Michal Szostak; Lei Yao; Jeffrey Aubé Stability of Medium-Bridged Twisted Amides in Aqueous Solutions Journal of Organic Chemistry 74 (2009) 1869-1875 Space group: I -4 Cell volume: 2989.4 Cell parameters: 20.9948; 20.9948; 6.782; 90; 90; 90;

COD ID: 4024704
CIF file	Formula: - C16 H20 Br O5 P - Comments: N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes Journal of Organic Chemistry 74 (2009) 5395-5404 Space group: I -4 Cell volume: 3423.6 Cell parameters: 21.347; 21.347; 7.5132; 90; 90; 90;

COD ID: 4026171

Formula: - C18 H25 N O S -
Comments: Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry Journal of Organic Chemistry 76 (2011) 2360-2366
Space group: I -4
Cell volume: 3251.9
Cell parameters: 17.3324; 17.3324; 10.8249; 90; 90; 90;

COD ID: 4027175

Formula: - C23 H25 N O3 S -
Comments: Nicolas Kern; Aurélien Blanc; Solène Miaskiewicz; Michelle Robinette; Jean-Marc Weibel; Patrick Pale Coinage Metals-Catalyzed Cascade Reactions of Aryl Alkynylaziridines: Silver(I)-Single vs Gold(I)-Double Cyclizations Journal of Organic Chemistry 77 (2012) 4323-4341
Space group: I -4
Cell volume: 4075.8
Cell parameters: 22.5705; 22.5705; 8.0007; 90; 90; 90;

COD ID: 4029135

Formula: - C19 H19 N2 O1.5 -
Comments: Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes. The Journal of organic chemistry 79(5) (2014) 1954-1970
Space group: I -4
Cell volume: 3003.5
Cell parameters: 22.783; 22.783; 5.7864; 90; 90; 90;

COD ID: 4031130

Formula: - C40 H86 B4 K4 N12 O29 -
Comments: Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A. Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids. The Journal of organic chemistry 80(13) (2015) 6728-6736
Space group: I -4
Cell volume: 3350.44
Cell parameters: 18.8403; 18.8403; 9.439; 90; 90; 90;

COD ID: 4032555
CIF file	Formula: - C25 H22 N2 O - Comments: Schlegel, Marcel; Schneider, Christoph Lewis Acid-Catalyzed Nucleophilic Addition of Indoles to in Situ-Generated 2-Amidoallyl Cations. The Journal of organic chemistry 82(11) (2017) 5986-5992 Space group: I -4 Cell volume: 3931.93 Cell parameters: 19.7868; 19.7868; 10.0428; 90; 90; 90;

COD ID: 4033200
CIF file	Formula: - C120 H124 Cl44 N8 O8 Sb6 - Comments: Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States. The Journal of organic chemistry 82(24) (2017) 13348-13358 Space group: I -4 Cell volume: 7886 Cell parameters: 25.919; 25.919; 11.739; 90; 90; 90;

COD ID: 4035787

Formula: - C33 H27 Cl N2 O -
Comments: Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction. The Journal of organic chemistry 83(11) (2018) 5909-5919
Space group: I -4
Cell volume: 6000.2
Cell parameters: 19.7225; 19.7225; 15.4255; 90; 90; 90;

COD ID: 4037808
CIF file	Formula: - C20 H22 Br I2 N3 - Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87 Space group: I -4 Cell volume: 5482.7 Cell parameters: 23.5982; 23.5982; 9.8455; 90; 90; 90;

COD ID: 4038133

Formula: - C59 H52 N4 O -
Comments: Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes. The Journal of organic chemistry 85(7) (2020) 4672-4681
Space group: I -4
Cell volume: 4145.03
Cell parameters: 28.0545; 28.0545; 5.2665; 90; 90; 90;

COD ID: 4038134

Formula: - C118 H99 N9 -
Comments: Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes. The Journal of organic chemistry 85(7) (2020) 4672-4681
Space group: I -4
Cell volume: 4152.71
Cell parameters: 28.056; 28.056; 5.2757; 90; 90; 90;

COD ID: 4038135

Formula: - C61 H54 N4 O -
Comments: Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes. The Journal of organic chemistry 85(7) (2020) 4672-4681
Space group: I -4
Cell volume: 4151.25
Cell parameters: 28.0572; 28.0572; 5.2734; 90; 90; 90;

COD ID: 4060070

Formula: - C68 H76 Ni4 O8 P4 -
Comments: Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine Organometallics 24 (2005) 272-279
Space group: I -4
Cell volume: 3229.9
Cell parameters: 17.379; 17.379; 10.6941; 90; 90; 90;

COD ID: 4060072

Formula: - C84 H148 Ni4 O8 P4 -
Comments: Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine Organometallics 24 (2005) 272-279
Space group: I -4
Cell volume: 4415.26
Cell parameters: 18.7303; 18.7303; 12.5854; 90; 90; 90;

COD ID: 4060688
CIF file	Formula: - C32 H48 N2 Si2 Yb - Comments: Toshiyuki Oshiki Preparation, Structural Characterization, and Reactions of Tantalum-Alkyne Complexes Organometallics (2003) Space group: I -4 Cell volume: 7142.5 Cell parameters: 21.2358; 21.2358; 15.8385; 90; 90; 90;

COD ID: 4061976
CIF file	Formula: - C40 H60 Ga4 Pt - Comments: Christian Gemel; Mirza Cokoja M(GaCp)4 (M=Pd, Pt) as Building Blocks for Dimeric Homoleptic Cluster Compounds of the Type M2(GaCp)5. Organometallics (2003) Space group: I -4 Cell volume: 2227.2 Cell parameters: 12.1466; 12.1466; 15.095; 90; 90; 90;

COD ID: 4061977
CIF file	Formula: - C40 H60 Ga4 Pd - Comments: Christian Gemel; Mirza Cokoja M(GaCp)4 (M=Pd, Pt) as Building Blocks for Dimeric Homoleptic Cluster Compounds of the Type M2(GaCp)5. Organometallics (2003) Space group: I -4 Cell volume: 2228.2 Cell parameters: 12.1107; 12.1107; 15.192; 90; 90; 90;

COD ID: 4062673
CIF file	Formula: - C32 H20 Sn - Comments: Mohammed Lahcini; Pascal Castro; Mikko Kalmi; Martti Klinga; Markku Leskelä; Timo Repo Tetrakis(phenylethynyl)tin(IV): a Novel Initiator for the Ring-Opening Polymerization of Lactide Organometallics (2004) Space group: I -4 Cell volume: 3766.1 Cell parameters: 13.689; 13.689; 20.098; 90; 90; 90;

COD ID: 4063149
CIF file	Formula: - C72 H92 F N O12 Si8 - Comments: Peter G Taylor; David J Parker; Manuel Pourny; Peter N Horton; Michael B Hursthouse; Alan R Bassindale Organometallics (2004) Space group: I -4 Cell volume: 3623.34 Cell parameters: 12.6476; 12.6476; 22.6513; 90; 90; 90;

COD ID: 4063232
CIF file	Formula: - C54 H59 Cl Mg N2 O P2 - Comments: Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides Organometallics 25(2) (2006) 394-402 Space group: I -4 Cell volume: 9728.73 Cell parameters: 30.8401; 30.8401; 10.2288; 90; 90; 90;

COD ID: 4063359

Formula: - C24 H28 Li N8 Pr S4 -
Comments: Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization Organometallics 30(2) (2011) 208-214
Space group: I -4
Cell volume: 1634.6
Cell parameters: 10.8874; 10.8874; 13.79; 90; 90; 90;

COD ID: 4063360

Formula: - C24 H28 Li N8 S4 Sm -
Comments: Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization Organometallics 30(2) (2011) 208-214
Space group: I -4
Cell volume: 1614.6
Cell parameters: 10.8371; 10.8371; 13.748; 90; 90; 90;

COD ID: 4063361

Formula: - C24 H28 Eu Li N8 S4 -
Comments: Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization Organometallics 30(2) (2011) 208-214
Space group: I -4
Cell volume: 1612.4
Cell parameters: 10.8407; 10.8407; 13.72; 90; 90; 90;

COD ID: 4063378

Formula: - C31 H28 Cl3 N5 Ru -
Comments: Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B. Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity Organometallics 30(2) (2011) 273-283
Space group: I -4
Cell volume: 6398.5
Cell parameters: 26.5354; 26.5354; 9.0872; 90; 90; 90;

COD ID: 4063991
CIF file	Formula: - C40 H60 S4 Ti4 - Comments: Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes Organometallics 30(5) (2011) 1034 Space group: I -4 Cell volume: 2100.94 Cell parameters: 12.1267; 12.1267; 14.2866; 90; 90; 90;

COD ID: 4065029

Formula: - C126 H116 Cl6 Fe4 P4 Ru -
Comments: Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry Organometallics 30(17) (2011) 4665
Space group: I -4
Cell volume: 5547
Cell parameters: 15.31; 15.31; 23.666; 90; 90; 90;

COD ID: 4065321

Formula: - C23 H38 Cl2 Fe N4 O P2 -
Comments: Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes Organometallics 30(24) (2011) 6587
Space group: I -4
Cell volume: 5972
Cell parameters: 25.2681; 25.2681; 9.3535; 90; 90; 90;

COD ID: 4067067
CIF file	Formula: - C23.25 H33.5 Cl1.5 Ir N - Comments: Kumaran, Elumalai; Sridevi, Venugopal Shanmugham; Leong, Weng Kee Orthometalated Amino-Carbene Derivatives of Iridium via Anilines and Terminal Alkynes Organometallics 29(23) (2010) 6417 Space group: I -4 Cell volume: 4691.7 Cell parameters: 22.7532; 22.7532; 9.0625; 90; 90; 90;

COD ID: 4067123
CIF file	Formula: - C52 H77 Fe4 Li O4 P4 - Comments: Serrano, Cristina Berges; Less, Robert J.; McPartlin, Mary; Naseri, Vesal; Wright, Dominic S. The First-Row Transition Metal Interstitial Hydride Anion [{PhP(CH2)3Fe}4(μ4-H)] Organometallics 29(22) (2010) 5754 Space group: I -4 Cell volume: 2700.17 Cell parameters: 17.3852; 17.3852; 8.9337; 90; 90; 90;

COD ID: 4067654

Formula: - C32 H46 Er N3 Si -
Comments: Zheng, Pengzhi; Hong, Jianquan; Liu, Ruiting; Zhang, Zhengxing; Pang, Zhen; Weng, Linhong; Zhou, Xigeng Synthesis and Reactivities of Guanidinate Dianion Complexes of Heterobimetallic Lanthanide−Lithium Cp2Ln[(CyN)2CNPh]Li(THF)3 Organometallics 29(5) (2010) 1284
Space group: I -4
Cell volume: 6324
Cell parameters: 26.025; 26.025; 9.337; 90; 90; 90;

COD ID: 4068071
CIF file	Formula: - C144 H196 Li20 N16 - Comments: Pöppler, Ann-Christin; Meinholz, Margret M.; Faßhuber, Hannes; Lange, Adam; John, Michael; Stalke, Dietmar Mixed Crystalline Lithium Organics and Interconversion in Solution Organometallics 31(1) (2012) 42 Space group: I -4 Cell volume: 6954.1 Cell parameters: 27.993; 27.993; 8.8744; 90; 90; 90;

COD ID: 4069533
CIF file	Formula: - C22 H43 Br3 N P Pt - Comments: Dub, Pavel A.; Rodriguez-Zubiri, Mireia; Daran, Jean-Claude; Brunet, Jean-Jacques; Poli, Rinaldo Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates Organometallics 28(16) (2009) 4764 Space group: I -4 Cell volume: 5981 Cell parameters: 22.727; 22.727; 11.58; 90; 90; 90;

COD ID: 4069567
CIF file	Formula: - C72 H101 N O2 P2 Si7 - Comments: Tsurusaki, Akihiro; Sasamori, Takahiro; Tokitoh, Norihiro [4+2] Cycloaddition of 9-Anthryldiphosphene with Electron-Deficient Olefins: Transformation of a Diaryldiphosphene to Alkylaryldiphosphenes Organometallics 28(13) (2009) 3604 Space group: I -4 Cell volume: 14728 Cell parameters: 34.142; 34.142; 12.635; 90; 90; 90;

COD ID: 4072110
CIF file	Formula: - C24 H38 Si4 - Comments: Lim, Young Mook; Lee, Myong Euy; Lee, Junseong; Do, Youngkyu Reactivity of Bromodilithiosilane to Naphthalene and Anthracene Organometallics 27(23) (2008) 6375 Space group: I -4 Cell volume: 5549.7 Cell parameters: 23.1848; 23.1848; 10.3243; 90; 90; 90;

COD ID: 4072618

Formula: - C8.5 H17 Cl Hg N2 O1.5 -
Comments: Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A. α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization† Organometallics 26(7) (2007) 1607
Space group: I -4
Cell volume: 2611.8
Cell parameters: 14.5205; 14.5205; 12.3875; 90; 90; 90;

COD ID: 4073452
CIF file	Formula: - C18 H14 Cl N O S Ti - Comments: Zhang, Jun; Lin, Yue-Jian; Jin, Guo-Xin Synthesis, Characterization, and Ethylene Polymerization of Group IV Metal Complexes with Mono-Cp and Tridentate Aryloxide or Arylsulfide Ligands Organometallics 26(16) (2007) 4042 Space group: I -4 Cell volume: 3315.7 Cell parameters: 21.043; 21.043; 7.488; 90; 90; 90;

COD ID: 4073469
CIF file	Formula: - C34 H42 Au P - Comments: Partyka, David V.; Esswein, Arthur J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Gold(I) Pyrenyls: Excited-State Consequences of Carbon−Gold Bond Formation Organometallics 26(14) (2007) 3279 Space group: I -4 Cell volume: 5721 Cell parameters: 24.918; 24.918; 9.214; 90; 90; 90;

COD ID: 4075367

Formula: - C112 H84 Cl8 Fe4 N20 Zn4 -
Comments: Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K. Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII) Organometallics 25(12) (2006) 2914
Space group: I -4
Cell volume: 5183
Cell parameters: 21.268; 21.268; 11.459; 90; 90; 90;

COD ID: 4076263

Formula: - C28 H38 Cr4 N0 O5 Se4 -
Comments: Song, Li-Cheng; Cheng, Hua-Wei; Hu, Qing-Mei A Basic Strategy for Functionalization of Metal Cyclopentadienyl Complexes: Synthesis, Characterization, and Reactivity of Linear, Butterfly, and Cubic Chromium/Selenium Complexes Containing Functionally Substituted Cyclopentadienyl Ligands Organometallics 23(5) (2004) 1072
Space group: I -4
Cell volume: 1580.4
Cell parameters: 11.068; 11.068; 12.901; 90; 90; 90;

COD ID: 4077477

Formula: - C84 H164 O12 P4 Si8 Yb4 -
Comments: Clegg, William; Izod, Keith; Liddle, Stephen T.; O'Shaughness, Paul; Sheffield, Joanne M. Synthesis and Structural Characterization of the First Lanthanide(II) Cuboidal Cluster. Unexpected C−O Activation by an Unchanged Ytterbium(II) Center Organometallics 19(11) (2000) 2090
Space group: I -4
Cell volume: 5263.2
Cell parameters: 20.323; 20.323; 12.743; 90; 90; 90;

COD ID: 4077531
CIF file	Formula: - C84 H156 Ca4 O12 P4 Si8 - Comments: Izod, Keith; Clegg, William; Liddle, Stephen T. Parallels between the Chemistry of Calcium(II) and Ytterbium(II). Synthesis and Crystal Structure of a Calcium Alkoxo-Phosphide Cuboidal Complex Organometallics 19(18) (2000) 3640 Space group: I -4 Cell volume: 5315.1 Cell parameters: 20.4587; 20.4587; 12.6985; 90; 90; 90;

COD ID: 4078246
CIF file	Formula: - C60 H108 Ni5 P4 Si4 - Comments: Beck, Robert; Johnson, Samuel A. Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation Organometallics 31(9) (2012) 3599 Space group: I -4 Cell volume: 3416 Cell parameters: 15.1577; 15.1577; 14.868; 90; 90; 90;

COD ID: 4078723
CIF file	Formula: - C114 H112 Cl4 O8 P4 Pd4 - Comments: Wakioka, Masayuki; Nakamura, Yuki; Wang, Qifeng; Ozawa, Fumiyuki Direct Arylation of 2-Methylthiophene with Isolated [PdAr(μ-O2CR)(PPh3)]nComplexes: Kinetics and Mechanism Organometallics 31(13) (2012) 4810 Space group: I -4 Cell volume: 5801 Cell parameters: 20.13; 20.13; 14.315; 90; 90; 90;

COD ID: 4079469

Formula: - C16 H24 Bi Cl N2 Si2 -
Comments: Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity Organometallics 31(18) (2012) 6697
Space group: I -4
Cell volume: 4102.8
Cell parameters: 19.2478; 19.2478; 11.0743; 90; 90; 90;

COD ID: 4079535
CIF file	Formula: - C152 H304 Ga8 N8 O24 S4 Si16 - Comments: Uhl, Werner; Stefaniak, Christina; Voß, Matthias; Kösters, Jutta; Rogel, Friedhelm Gallium‒Gallium Bonds As Effective Templates for the Generation of Macrocycles and Supramolecular Entities Organometallics 31(19) (2012) 6988 Space group: I -4 Cell volume: 11062.3 Cell parameters: 29.2355; 29.2355; 12.9427; 90; 90; 90;

COD ID: 4080903

Formula: - C64 H70 Au3 Cu F6 O4 P4 -
Comments: Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O. Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters Organometallics 32(15) (2013) 4061
Space group: I -4
Cell volume: 14778.8
Cell parameters: 24.1779; 24.1779; 25.2815; 90; 90; 90;

COD ID: 4081616
CIF file	Formula: - C19 H19 Fe N S - Comments: Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction Organometallics 32(20) (2013) 6098 Space group: I -4 Cell volume: 3230 Cell parameters: 23.4053; 23.4053; 5.8962; 90; 90; 90;

COD ID: 4082219
CIF file	Formula: - C94.5 H111.5 N6 O12 Os3 Pd3 - Comments: Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands Organometallics 32(24) (2013) 7559 Space group: I -4 Cell volume: 19289 Cell parameters: 25.8167; 25.8167; 28.941; 90; 90; 90;

COD ID: 4082837

Formula: - C30.52 H43.3 N2 O7.13 Pd -
Comments: Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity Organometallics 33(7) (2014) 1812
Space group: I -4
Cell volume: 6827.2
Cell parameters: 23.2175; 23.2175; 12.6652; 90; 90; 90;

COD ID: 4083682
CIF file	Formula: - C32 H39 N4 Yb - Comments: Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes Organometallics 26(8) (2007) 1934 Space group: I -4 Cell volume: 5887 Cell parameters: 23.396; 23.396; 10.755; 90; 90; 90;

COD ID: 4084093

Formula: - C40 H60 B Cr4 F4 O4 -
Comments: Allen, Daryl P.; Bottomley, Frank; Day, Robert W.; Decken, Andreas; Sanchez, Victor; Summers, David A.; Thompson, Robert C. Organometallic Oxides: Oxidation of the Cubane [(η-C5R5)Cr(μ3-O)]4and the Structures and Magnetic Properties of the Salts {[(η-C5R5)Cr(μ3-O)]4}{tcnq} and {[(η-C5R5)Cr(μ3-O)]4}{BF4} Organometallics 20(9) (2001) 1840
Space group: I -4
Cell volume: 2034.2
Cell parameters: 11.587; 11.587; 15.151; 90; 90; 90;

COD ID: 4084260

Formula: - C32.5 H33 Br4 Cl Ru -
Comments: So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes Organometallics 33(17) (2014) 4497
Space group: I -4
Cell volume: 1872
Cell parameters: 14.8581; 14.8581; 8.4799; 90; 90; 90;

COD ID: 4085031

Formula: - C84 H104 B4 O16 P4 -
Comments: Liu, Qian; Contrella, Nathan D.; Filatov, Alexander S.; Jordan, Richard F. Synthesis of Borophosphonate Cage Compounds: Influence of Substituent and Concentration Effects on Product Distribution in Condensation Reactions of Aryl Phosphonic Acids and Boronic Acids Organometallics 34(1) (2015) 254
Space group: I -4
Cell volume: 5754.8
Cell parameters: 13.9467; 13.9467; 29.586; 90; 90; 90;

COD ID: 4085741
CIF file	Formula: - C29 H46 F3 N O3 P2 S Zr - Comments: Kamitani, Masahiro; Searles, Keith; Chen, Chun-Hsing; Carroll, Patrick J.; Mindiola, Daniel J. β-Hydrogen Abstraction of an Ethyl Group Provides Entry to Titanium and Zirconium Ethylene Complexes Organometallics 34(11) (2015) 2558 Space group: I -4 Cell volume: 6809.5 Cell parameters: 26.6098; 26.6098; 9.6169; 90; 90; 90;

COD ID: 4087154
CIF file	Formula: - C30 H40 I P2 Pt - Comments: Barrett, Brittany J.; Iluc, Vlad M. An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes Organometallics 36(3) (2017) 730 Space group: I -4 Cell volume: 7150.7 Cell parameters: 23.0436; 23.0436; 13.4662; 90; 90; 90;

COD ID: 4087520
CIF file	Formula: - C44 H60 U - Comments: Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C. New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives Organometallics 34(12) (2015) 2889 Space group: I -4 Cell volume: 1935.34 Cell parameters: 16.3339; 16.3339; 7.254; 90; 90; 90;

COD ID: 4087635
CIF file	Formula: - C54 H66 Fe K O2 S2 Y - Comments: Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L. Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone Organometallics 34(19) (2015) 4700 Space group: I -4 Cell volume: 11956 Cell parameters: 27.634; 27.634; 15.656; 90; 90; 90;

COD ID: 4088057
CIF file	Formula: - C20.5 H32 Cl Cu D1.5 Ge N2 - Comments: Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego Amidinatogermylene Complexes of Copper, Silver, and Gold Organometallics 34(22) (2015) 5479 Space group: I -4 Cell volume: 4736.46 Cell parameters: 15.7351; 15.7351; 19.13; 90; 90; 90;

COD ID: 4088664
CIF file	Formula: - C37 H48 B La N2 O Si - Comments: Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes Organometallics 35(11) (2016) 1995 Space group: I -4 Cell volume: 6947 Cell parameters: 20.555; 20.555; 16.443; 90; 90; 90;

COD ID: 4100282

Formula: - C33 H43 N3 O2 -
Comments: Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society 127(40) (2005) 13955-13968
Space group: I -4
Cell volume: 6052.7
Cell parameters: 27.0925; 27.0925; 8.2461; 90; 90; 90;

COD ID: 4101368
CIF file	Formula: - C42 H36.5 Cl2 F8 N4 O1.25 Ru - Comments: Ritter, Tobias; Day, Michael W; Grubbs, Robert H Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction. Journal of the American Chemical Society 128(36) (2006) 11768-11769 Space group: I -4 Cell volume: 7789.8 Cell parameters: 27.2151; 27.2151; 10.5174; 90; 90; 90;

COD ID: 4102580

Formula: - C30 H28 Cl2 F6 O6 Pd2 -
Comments: Parthasarathy Gandeepan; Kanniyappan Parthasarathy; Chien-Hong Cheng Synthesis of Phenanthrone Derivatives from sec-Alkyl Aryl Ketones and Aryl Halides via a Palladium-Catalyzed Dual C-H Bond Activation and Enolate Cyclization Journal of the American Chemical Society 132 (2010) 8569-8571
Space group: I -4
Cell volume: 6775.3
Cell parameters: 22.0889; 22.0889; 13.8862; 90; 90; 90;

COD ID: 4103446
CIF file	Formula: - Be12 Na4 O4 Si4 - Comments: Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society 132 (2010) 15679-15686 Space group: I -4 Cell volume: 930.78 Cell parameters: 9.8276; 9.8276; 9.6372; 90; 90; 90;

COD ID: 4103821

Formula: - C29 H29 B Mo N7 O6 -
Comments: Thomas C. Coombs; Yongqiang Zhang; Ethel C. Garnier-Amblard; Lanny S. Liebeskind Organometallic Enantiomeric Scaffolding. Sequential Semipinacol/1,5-"Michael-like" Reactions as a Strategic Approach to Bridgehead-Quaternary Center Aza[3.3.1]Bicyclics: Application to the Total Synthesis of (-)-Adaline Journal of the American Chemical Society 131 (2009) 876-877
Space group: I -4
Cell volume: 5755.7
Cell parameters: 21.1763; 21.1763; 12.835; 90; 90; 90;

COD ID: 4104326
CIF file	Formula: - C20 H34 B N9 O2 - Comments: Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng Zeolite RHO-Type Net with the Lightest Elements Journal of the American Chemical Society 131 (2009) 6111-6113 Space group: I -4 Cell volume: 4773.8 Cell parameters: 18.4911; 18.4911; 13.9617; 90; 90; 90;

COD ID: 4104473

Formula: - C55.96 H47.56 Cl8.28 Co4 N16 -
Comments: Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains Journal of the American Chemical Society 131 (2009) 7580-7591
Space group: I -4
Cell volume: 8990.7
Cell parameters: 27.1026; 27.1026; 12.2397; 90; 90; 90;

COD ID: 4104474

Formula: - C56.1 H47.49 Cl8.19 Co4 N16 -
Comments: Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains Journal of the American Chemical Society 131 (2009) 7580-7591
Space group: I -4
Cell volume: 9099.8
Cell parameters: 27.2473; 27.2473; 12.257; 90; 90; 90;

COD ID: 4104475

Formula: - C42.25 H35.75 Cl6.5 Co3 N12 -
Comments: Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains Journal of the American Chemical Society 131 (2009) 7580-7591
Space group: I -4
Cell volume: 9348
Cell parameters: 27.483; 27.483; 12.376; 90; 90; 90;

COD ID: 4104476

Formula: - C42.11 H35.7 Cl6.21 Co3 N12 -
Comments: Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains Journal of the American Chemical Society 131 (2009) 7580-7591
Space group: I -4
Cell volume: 8982
Cell parameters: 27.132; 27.132; 12.201; 90; 90; 90;

COD ID: 4105724

Formula: - C11 H12 N2 O2 -
Comments: Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters Journal of the American Chemical Society 133 (2011) 3433-3443
Space group: I -4
Cell volume: 2026.5
Cell parameters: 18.723; 18.723; 5.7808; 90; 90; 90;

COD ID: 4106197
CIF file	Formula: - C96 H120 Fe2 O P4 S2 Si4 - Comments: Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters Dinitrogen Complexes of Sulfur-Ligated Iron Journal of the American Chemical Society 133 (2011) 8440-8443 Space group: I -4 Cell volume: 10243.2 Cell parameters: 27.2245; 27.2245; 13.8202; 90; 90; 90;

COD ID: 4106514
CIF file	Formula: - C38 H40 B2 N12 O4 Zn2 - Comments: Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks Journal of the American Chemical Society 133 (2011) 11884-11887 Space group: I -4 Cell volume: 5720.3 Cell parameters: 18.8569; 18.8569; 16.0871; 90; 90; 90;

COD ID: 4109835

Formula: - C101 H191 Mn12 O49 -
Comments: Anne-Laure Barra; Andrea Caneschi; Andrea Cornia; Dante Gatteschi; Lapo Gorini; Leo-Philipp Heiniger; Roberta Sessoli; Lorenzo Sorace The Origin of Transverse Anisotropy in Axially Symmetric Single Molecule Magnets Journal of the American Chemical Society 129 (2007) 10754-10762
Space group: I -4
Cell volume: 6990
Cell parameters: 21.481; 21.481; 15.148; 90; 90; 90;

COD ID: 4110373

Formula: - C3 H3 O5 Tc -
Comments: Maaz Zuhayra; Willm Uwe Kampen; Eberhard Henze; Zsolt Soti; Laslo Zsolnai; Gottfried Huttner; Franz Oberdorfer A Planar Water Tetramer with Tetrahedrally Coordinated Water Embedded in a Hydrogen Bonding Network of [Tc4(CO)12-(μ3-OH)4.4H2O] Journal of the American Chemical Society 128 (2006) 424-425
Space group: I -4
Cell volume: 1255.8
Cell parameters: 11.772; 11.772; 9.062; 90; 90; 90;

COD ID: 4110658
CIF file	Formula: - C51 H104 Li4 N4 Si4 - Comments: Carsten Strohmann; Klaus Lehmen; Stefan Dilsky A Monolithiated and Its Related 1,3-Dilithiated Allylsilane: Syntheses, Crystal Structures, and Reactivity Journal of the American Chemical Society 128 (2006) 8102-8103 Space group: I -4 Cell volume: 2961.2 Cell parameters: 15.607; 15.607; 12.157; 90; 90; 90;

COD ID: 4112134