Crystallography Open Database
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Searching space group like 'F d d d :2'
COD ID: 1000360 | |
CIF file | Formula: - F32 Fe7 Na7 Sr2 - Comments: Hemon-Ribaud, A; Greneche, J M; Courbion, G Synthesis, crystal structure, and magnetic study of Na~7~Sr~2~Fe~7~F~32~ Journal of Solid State Chemistry 112 (1994) 82-91 Space group: F d d d :2 Cell volume: 5040.9 Cell parameters: 10.372; 10.805; 44.98; 90; 90; 90; |
COD ID: 1000395 | |
CIF file | Formula: - C F2 Gd K O3 - Comments: Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M; Porcher, P Structure and optical properties of K Gd (C O3) F2 : Eu(3+) Journal of Alloys Compd. 225 (1995) 198-202 Space group: F d d d :2 Cell volume: 1712.8 Cell parameters: 7.006; 11.181; 21.86499; 90; 90; 90; |
COD ID: 1005023 | |
CIF file | Formula: - K2 Ni3 S4 - Comments: Elder, S H; Jobic, S; Brec, R; Gelabert, M; DiSalvo, F J Structural and electronic properties of K2 Ni3 S4, a pseudo-two dimensional compound with a honeycomb-like arrangement Journal of Alloys Compd. 235 (1996) 135-142 Space group: F d d d :2 Cell volume: 1497.3 Cell parameters: 5.723; 10.04; 26.05899; 90; 90; 90; |
COD ID: 1007207 | |
CIF file | Formula: - Ag2 H2 O7 P2 - Comments: Averbuch-Pouchot, M T; Durif, A Crystal structure of silver-dihydrogeno-diphospate: Ag~2~H~2~P~2~O~7~ European Journal of Solid State Inorganic Chemistry 29 (1992) 993-999 Space group: F d d d :2 Cell volume: 2417.2 Cell parameters: 27.779; 12.385; 7.026; 90; 90; 90; |
COD ID: 1008350 | |
CIF file | Formula: - Ga4 Na Nd S8 - Comments: Ibanez, R; Gravereau, P; Garcia, A; Fouassier, C Structural Study of NaNdGa~4~S~8~, a Luminescent Material with Low- Concentration Quenching Journal of Solid State Chemistry 73 (1988) 252-258 Space group: F d d d :2 Cell volume: 4921.4 Cell parameters: 20.122; 20.143; 12.142; 90; 90; 90; |
COD ID: 1008365 | |
CIF file | Formula: - Ga4 Na Nd S8 - Comments: Ibanez, R; Gravereau, P; Garcia, A; Fouassier, C Structural Study of Na Nd Ga~4~ S~8~, a Luminescent Material with Low- Concentration Quenching Journal of Solid State Chemistry 73 (1988) 252-258 Space group: F d d d :2 Cell volume: 4921.4 Cell parameters: 20.122; 20.143; 12.142; 90; 90; 90; |
COD ID: 1011184 | |
CIF file | Formula: - Na2 O4 S - Comments: Zachariasen, W H; Ziegler, G E The crystal structure of anhydrous sodium sulfate Na2 S O4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81 (1932) 92-101 Space group: F d d d :2 Cell volume: 701 Cell parameters: 5.85; 12.29; 9.75; 90; 90; 90; |
COD ID: 1101220 | |
CIF file | Formula: - C100 H212 K8 O128 S2 Si2 Ti4 W20 - Comments: Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry 45(5) (2006) 2347-2356 Space group: F d d d :2 Cell volume: 100079 Cell parameters: 33.2107; 35.4445; 85.0187; 90; 90; 90; |
COD ID: 1508125 | |
CIF file | Formula: - C288 H216 Cu24 O120 - Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898 Space group: F d d d :2 Cell volume: 137833 Cell parameters: 28.083; 59.645; 82.288; 90; 90; 90; |
COD ID: 1509286 | |
CIF file | Formula: - Ag Cs2 Nb Se4 - Comments: Duerichen, P.; Rumpf, C.; Tillinski, R.; Bensch, W.; Schunk, S.A.; Jess, I.; Naether, C. Synthesis, crystal structures, and optical properties of new quaternary metal chalcogenides of group 5: Cs2 Ag V S4, K2 Ag V Se4, Rb2 Ag V Se4, Rb2 Ag Nb S4, and Cs2 Ag Nb Se4 Zeitschrift fuer Anorganische und Allgemeine Chemie 624 (1998) 1285-1290 Space group: F d d d :2 Cell volume: 2232.86 Cell parameters: 6.11; 14.473; 25.25; 90; 90; 90; |
COD ID: 1509287 | |
CIF file | Formula: - Ag Cs2 S4 V - Comments: Bensch, W.; Duerichen, P.; Schunk, S.A.; Jess, I.; Tillinski, R.; Rumpf, C.; Naether, C. Synthesis, crystal structures, and optical properties of new quaternary metal chalcogenides of group 5: Cs2 Ag V S4, K2 Ag V Se4, Rb2 Ag V Se4, Rb2 Ag Nb S4, and Cs2 Ag Nb Se4 Zeitschrift fuer Anorganische und Allgemeine Chemie 624 (1998) 1285-1290 Space group: F d d d :2 Cell volume: 1975.9 Cell parameters: 5.846; 13.943; 24.241; 90; 90; 90; |
COD ID: 1509426 | |
CIF file | Formula: - Ag K2 S4 V - Comments: Duerichen, P.; Bensch, W. Crystal structure and preparation of K2 Ag V S4 and Rb2 Ag V S4 by using the molten flux method: Low-dimensional materials with infinite metal-ion-centered tetrahedra chains Chemische Berichte 129 (1996) 1207-1210 Space group: F d d d :2 Cell volume: 1675.25 Cell parameters: 5.807; 12.939; 22.296; 90; 90; 90; |
COD ID: 1509427 | |
CIF file | Formula: - Ag K2 Se4 V - Comments: Tillinski, R.; Bensch, W.; Rumpf, C.; Schunk, S.A.; Jess, I.; Duerichen, P.; Naether, C. Synthesis, crystal structures, and optical properties of new quaternary metal chalcogenides of group 5: Cs2 Ag V S4, K2 Ag V Se4, Rb2 Ag V Se4, Rb2 Ag Nb S4, and Cs2 Ag Nb Se4 Zeitschrift fuer Anorganische und Allgemeine Chemie 624 (1998) 1285-1290 Space group: F d d d :2 Cell volume: 1834.97 Cell parameters: 5.972; 13.302; 23.099; 90; 90; 90; |
COD ID: 1509478 | |
CIF file | Formula: - Ag Nb Rb2 S4 - Comments: Schunk, S.A.; Rumpf, C.; Tillinski, R.; Duerichen, P.; Bensch, W.; Naether, C.; Jess, I. Synthesis, crystal structures, and optical properties of new quaternary metal chalcogenides of group 5: Cs2 Ag V S4, K2 Ag V Se4, Rb2 Ag V Se4, Rb2 Ag Nb S4, and Cs2 Ag Nb Se4 Zeitschrift fuer Anorganische und Allgemeine Chemie 624 (1998) 1285-1290 Space group: F d d d :2 Cell volume: 1894.59 Cell parameters: 5.931; 13.57; 23.54; 90; 90; 90; |
COD ID: 1509519 | |
CIF file | Formula: - Ag Rb2 S4 V - Comments: Bensch, W.; Duerichen, P. Crystal structure and preparation of K2 Ag V S4 and Rb2 Ag V S4 by using the molten flux method: Low-dimensional materials with infinite metal-ion-centered tetrahedra chains Chemische Berichte 129 (1996) 1207-1210 Space group: F d d d :2 Cell volume: 1802.54 Cell parameters: 5.82; 13.359; 23.184; 90; 90; 90; |
COD ID: 1509520 | |
CIF file | Formula: - Ag Rb2 Se4 V - Comments: Tillinski, R.; Schunk, S.A.; Jess, I.; Naether, C.; Bensch, W.; Rumpf, C.; Duerichen, P. Synthesis, crystal structures, and optical properties of new quaternary metal chalcogenides of group 5: Cs2 Ag V S4, K2 Ag V Se4, Rb2 Ag V Se4, Rb2 Ag Nb S4, and Cs2 Ag Nb Se4 Zeitschrift fuer Anorganische und Allgemeine Chemie 624 (1998) 1285-1290 Space group: F d d d :2 Cell volume: 1965.16 Cell parameters: 5.995; 13.7; 23.927; 90; 90; 90; |
COD ID: 1509700 | |
CIF file | Formula: - Ag2 O4 S - Comments: von Dreele, R.B.; Brese, N.E.; Ramakrishna, B.L.; O'Keeffe, M. Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Journal of Solid State Chemistry 89 (1990) 184-190 Space group: F d d d :2 Cell volume: 750.61 Cell parameters: 5.796; 12.667; 10.2238; 90; 90; 90; |
COD ID: 1509733 | |
CIF file | Formula: - Ag2 Ba4 Si6 - Comments: Cardoso Gil, R.H.; Peters, K.; Grin', Yu.; Schultheiss, M.; Carrillo-Cabrera, W.; von Schnering, H.G. New examples for the unexpected stability of the 10pi electron Hueckel arene (Si6)10- Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 285-293 Space group: F d d d :2 Cell volume: 2524.91 Cell parameters: 8.613; 14.927; 19.639; 90; 90; 90; |
COD ID: 1509797 | |
CIF file | Formula: - Ag2 Eu4 Si6 - Comments: Peters, K.; Cardoso Gil, R.H.; von Schnering, H.G.; Schultheiss, M.; Carrillo-Cabrera, W.; Grin', Yu. New examples for the unexpected stability of the 10pi electron Hueckel arene (Si6)10- Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 285-293 Space group: F d d d :2 Cell volume: 2193.8 Cell parameters: 8.42; 14.585; 17.864; 90; 90; 90; |
COD ID: 1510384 | |
CIF file | Formula: - Au2 Cs2 S4 Sn - Comments: Loeken, S.; Tremel, W. Synthesis, Structures, and Properties of New Quaternary Gold-Chalcogenides: K2 Au2 Ge2 S6, K2 Au2 Sn2 Se6, and Cs2 Au2 Sn S4 Zeitschrift fuer Anorganische und Allgemeine Chemie 624 (1998) 1588-1594 Space group: F d d d :2 Cell volume: 2158.45 Cell parameters: 6.143; 14.296; 24.578; 90; 90; 90; |
COD ID: 1510674 | |
CIF file | Formula: - B2 Eu Ir2 - Comments: Jung, W. Ternaere Seltenerd-Iridiumboride SE Ir2 B2 (SE= Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) mit Ca Rh2 B2-Struktur Journal of the Less-Common Metals 171 (1991) 119-125 Space group: F d d d :2 Cell volume: 599.647 Cell parameters: 10.672; 9.343; 6.014; 90; 90; 90; |
COD ID: 1510703 | |
CIF file | Formula: - B2 Gd Ir2 - Comments: Jung, W. Ternaere Seltenerd-Iridiumboride SE Ir2 B2 (SE= Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) mit Ca Rh2 B2-Struktur Journal of the Less-Common Metals 171 (1991) 119-125 Space group: F d d d :2 Cell volume: 582.477 Cell parameters: 10.772; 9.275; 5.83; 90; 90; 90; |
COD ID: 1510721 | |
CIF file | Formula: - B2 Ir2 Y - Comments: Jung, W. Ternaere Seltenerd-Iridiumboride SE Ir2 B2 (SE= Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) mit Ca Rh2 B2-Struktur Journal of the Less-Common Metals 171 (1991) 119-125 Space group: F d d d :2 Cell volume: 576.04 Cell parameters: 10.832; 9.247; 5.751; 90; 90; 90; |
COD ID: 1510949 | |
CIF file | Formula: - B2 Ce Ir2 - Comments: Jung, W. Ternaere Seltenerd-Iridiumboride SE Ir2 B2 (SE= Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) mit Ca Rh2 B2-Struktur Journal of the Less-Common Metals 171 (1991) 119-125 Space group: F d d d :2 Cell volume: 600.934 Cell parameters: 10.645; 9.379; 6.019; 90; 90; 90; |
COD ID: 1511169 | |
CIF file | Formula: - B Ge0.3 Mo1.7 - Comments: Kuz'ma, Yu.B.; Marko, M.A.; Saakyan, L.S. X-ray study of molybdenum-germanium-boron and tungsten-germanium- boron systems Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 12 (1976) 1307-1309 Space group: F d d d :2 Cell volume: 553.53 Cell parameters: 15.41; 7.86; 4.57; 90; 90; 90; |
COD ID: 1511190 | |
CIF file | Formula: - B Ir Li - Comments: Schmidt, B.; Jung, W.; Kluenter, W. Li Ir B, Cu Ir B und Pd Ir B, ternaere Iridiumboride mit neuen, vom CaRh2B2-Typ abgeleiteten Strukturen Journal of Alloys Compd. 205 (1994) 93-100 Space group: F d d d :2 Cell volume: 585.948 Cell parameters: 10.466; 9.154; 6.116; 90; 90; 90; |
COD ID: 1513967 | |
CIF file | Formula: - Li Mn2 O4 - Comments: Piszora, P. Temperature dependence of the order and distribution of Mn^3+^ and Mn^4+^ cations in orthorhombic LiMn~2~O~4~ Journal of Alloys and Compounds 382(1-2) (2004) 112-118 Space group: F d d d :2 Cell volume: 5047.83 Cell parameters: 24.75193; 24.87184; 8.1995; 90; 90; 90; |
COD ID: 1513968 | |
CIF file | Formula: - Li Mn2 O4 - Comments: Piszora, P. Temperature dependence of the order and distribution of Mn^3+^ and Mn^4+^ cations in orthorhombic LiMn~2~O~4~ Journal of Alloys and Compounds 382(1-2) (2004) 112-118 Space group: F d d d :2 Cell volume: 5032.85 Cell parameters: 24.76328; 24.80455; 8.1936; 90; 90; 90; |
COD ID: 1513983 | |
CIF file | Formula: - Li1.13 Mn2 O4 - Comments: Sato, K.; Poojary, D. M.; Clearfield, A.; Kohno, M.; Inoue, Y. The surface structure of the proton-exchanged lithium manganese oxide spinels and their lithium-ion sieve properties Journal of Solid State Chemistry 131 (1997) 84-93 Space group: F d d d :2 Cell volume: 560.59 Cell parameters: 8.2692; 8.2468; 8.2205; 90; 90; 90; |
COD ID: 1514020 | |
CIF file | Formula: - Li Mn2 O4 - Comments: Akimoto, J.; Takahashi, Y.; Kijima, N.; Gotoh, Y. Single-crystal X-ray structure analysis of the low temperature form of Li Mn2 O4 Solid State Ionics 172 (2004) 491-494 Space group: F d d d :2 Cell volume: 5027.4 Cell parameters: 24.75; 24.801; 8.1903; 90; 90; 90; |
COD ID: 1514045 | |
CIF file | Formula: - Li Mn2 O4 - Comments: Nakayama, M.; Nogami, M. A first-principles study on phase transition induced by charge ordering of Mn3+/Mn4+ in spinel Li Mn2 O4 Solid State Communications 150 (2010) 1329-1333 Space group: F d d d :2 Cell volume: 5375.14 Cell parameters: 25.4788; 25.5137; 8.2687; 90; 90; 90; |
COD ID: 1514891 | |
CIF file | Formula: - C52 H56 Cl2 - Comments: Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization Polymer Chemistry 4(10) (2013) 2963 Space group: F d d d :2 Cell volume: 9037.4 Cell parameters: 13.8723; 17.3314; 37.589; 90; 90; 90; |
COD ID: 1515478 | |
CIF file | Formula: - C120 H196 Dy6 Mn12 N8 O93 - Comments: Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N. Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies Chemical Science 2(7) (2011) 1268 Space group: F d d d :2 Cell volume: 38791 Cell parameters: 22.6849; 37.2467; 45.91; 90; 90; 90; |
COD ID: 1517078 | |
CIF file | Formula: - C360 H464 Cd24 Ho8 N24 O144 - Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions (2014) Space group: F d d d :2 Cell volume: 272542 Cell parameters: 54.777; 62.244; 79.935; 90; 90; 90; |
COD ID: 1517276 | |
CIF file | Formula: - C96 H80 N12 O4 Rh2 - Comments: Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A 118(45) (2014) 10340-10352 Space group: F d d d :2 Cell volume: 16382 Cell parameters: 15.689; 30.833; 33.866; 90; 90; 90; |
COD ID: 1519024 | |
CIF file | Formula: - Ce2 Cu K Se6 - Comments: Klawitter, Y.; Nather, C.; Jeb, I.; Bensch, W.; Kanatzidis, M. G. The superstructure of KCuCe2Se6 due to ordering of copper cations Solid State Sciences 1 (1999) 421-431 Space group: F d d d :2 Cell volume: 4355.6 Cell parameters: 8.5907; 11.3962; 44.49; 90; 90; 90; |
COD ID: 1521217 | |
CIF file | Formula: - C60 H3 K3 N - Comments: Ishii, K.; Iwasa, Y.; Watanuki, T.; Fujii, Y.; Fujiwara, A.; Mitani, T.; Suematsu, H.; Shimoda, H.; Murakami, Y.; Nakao, H. Structural phase transition in the ammoniated alkali C60 compound (N H3) K3 C60 Physical Review, Serie 3. B - Condensed Matter (18,1978-) 59 (1999) 3956-3960 Space group: F d d d :2 Cell volume: 24128.2 Cell parameters: 29.791; 29.873; 27.112; 90; 90; 90; |
COD ID: 1521218 | |
CIF file | Formula: - Eu3 H16 N8 Na2 - Comments: Jacobs, H.; Fink, U. Ueber Natrium- und Kaliumamidometallate des Calciums, Strontiums und Europiums Journal of the Less-Common Metals 63 (1979) 273-286 Space group: F d d d :2 Cell volume: 1831.73 Cell parameters: 23.13; 10.51; 7.535; 90; 90; 90; |
COD ID: 1521292 | |
CIF file | Formula: - Sb Sn Ti - Comments: Malaman, B.; Steinmetz, J. Deux nouveaux ternaires a structures apparentees: Ti Sn Sb de type Cu Mg2 et Nb Sn Sb de type Cu Al2 Journal of the Less-Common Metals 65 (1979) 285-288 Space group: F d d d :2 Cell volume: 1036.09 Cell parameters: 5.593; 9.788; 18.926; 90; 90; 90; |
COD ID: 1521406 | |
CIF file | Formula: - O4 Tb V - Comments: Kirschbaum, K.; Martin, A.; Parrish, D.A.; Pinkerton, A.A. Cooperative Jahn-Teller induced phase transition of Tb V O4: singlecrystal structure analyses of the tetragonal high temperaturephaseand the twinned orthorhombic phase below 33 K Journal of Physics: Condensed Matter 11 (1999) 4483-4490 Space group: F d d d :2 Cell volume: 648.509 Cell parameters: 10.239; 10.029; 6.3154; 90; 90; 90; |
COD ID: 1522162 | |
CIF file | Formula: - Ba3 I2 Si - Comments: Wengert, S.; Nesper, R. Ba3 Si I2, a double salt of barium iodide and the Zintl phase Ba2 Si Journal of Solid State Chemistry 152 (2000) 460-465 Space group: F d d d :2 Cell volume: 4176.21 Cell parameters: 10.057; 14.064; 29.526; 90; 90; 90; |
COD ID: 1522163 | |
CIF file | Formula: - Ba3 Ge I2 - Comments: Wengert, S.; Nesper, R. Ba3 Si I2, a double salt of barium iodide and the Zintl phase Ba2 Si Journal of Solid State Chemistry 152 (2000) 460-465 Space group: F d d d :2 Cell volume: 4195.66 Cell parameters: 10.064; 14.082; 29.605; 90; 90; 90; |
COD ID: 1524700 | |
CIF file | Formula: - Ga2 Pb Se4 - Comments: Klee, W.; Schaefer, H. Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4 Materials Research Bulletin 15 (1980) 1033-1038 Space group: F d d d :2 Cell volume: 5836.11 Cell parameters: 21.37; 21.47; 12.72; 90; 90; 90; |
COD ID: 1525581 | |
CIF file | Formula: - Br Cu Te - Comments: Arai, M.; Sakuma, T. Crystal structure of beta-(Cu Br Te) Journal of the Physical Society of Japan 70 (2001) 144-147 Space group: F d d d :2 Cell volume: 7640.02 Cell parameters: 23.22; 23.22; 14.17; 90; 90; 90; |
COD ID: 1527110 | |
CIF file | Formula: - F6 H2 K2 O Sn - Comments: Baidina, I.A.; Bakakin, V.V.; Borisov, S.V.; Podberezskaya, N.V. Kristallicheskaya struktura monohidrata heksaflorstannatakaliya K2 Sn F6 (H2 O) Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 17 (1976) 505-509 Space group: F d d d :2 Cell volume: 2800.17 Cell parameters: 11.65; 13.68; 17.57; 90; 90; 90; |
COD ID: 1527581 | |
CIF file | Formula: - Eu H6 K N3 - Comments: Jacobs, H.; Fink, U. Untersuchung des Systems Kalium/Europium/Ammoniak Zeitschrift fuer Anorganische und Allgemeine Chemie 438 (1978) 151-159 Space group: F d d d :2 Cell volume: 2126.48 Cell parameters: 23.57; 11.31; 7.977; 90; 90; 90; |
COD ID: 1527742 | |
CIF file | Formula: - O3 U - Comments: Loopstra, B.O.; Waugh, A.B.; Taylor, J.C. Neutron powder profile studies of the gamma uranium trioxide phases Journal of Solid State Chemistry 20 (1977) 9-19 Space group: F d d d :2 Cell volume: 1893.2 Cell parameters: 9.787; 19.932; 9.705; 90; 90; 90; |
COD ID: 1529123 | |
CIF file | Formula: - Lu2 Se3 - Comments: Folchnandt, M.; Schleid, T.; Schneck, C. Ueber Sesquiselenide der Lanthanoide: Einkristalle von Ce2 Se3 im C-, Gd2 Se3 im U- und Lu2 Se3 im Z-Typ Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 149-155 Space group: F d d d :2 Cell volume: 2143.91 Cell parameters: 11.251; 7.9806; 23.877; 90; 90; 90; |
COD ID: 1529389 | |
CIF file | Formula: - C68 H60 Ce Li4 N12 - Comments: Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J. Control of cerium oxidation state through metal complex secondary structures Chem. Sci. 6(12) (2015) 6925 Space group: F d d d :2 Cell volume: 12088.5 Cell parameters: 11.4483; 43.06; 24.522; 90; 90; 90; |
COD ID: 1531776 | |
CIF file | Formula: - Fe2 K3 O4 - Comments: Moeller, A. Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2537-2541 Space group: F d d d :2 Cell volume: 1167.73 Cell parameters: 5.9611; 11.403; 17.179; 90; 90; 90; |
COD ID: 1532236 | |
CIF file | Formula: - H2 Na2 O7 P2 - Comments: Selevich, K.A.; Ivashkevich, L.S.; Selevich, A.F.; Lyakhov, A.S. Refinement of crystal structure of Na2 H2 P2 O7 using X-ray powder diffraction data Zhurnal Neorganicheskoi Khimii 47 (2002) 1672-1675 Space group: F d d d :2 Cell volume: 2331.86 Cell parameters: 27.521; 12.3519; 6.8597; 90; 90; 90; |
COD ID: 1532679 | |
CIF file | Formula: - Sb Sn Ti - Comments: Dashjav, E.; Kleinke, H. Sn/Sb atom ordering in the ternary stannide-antimonide Ti Sn Sb Journal of Solid State Chemistry 176 (2003) 329-337 Space group: F d d d :2 Cell volume: 1034.94 Cell parameters: 5.4892; 9.845; 19.151; 90; 90; 90; |
COD ID: 1533877 | |
CIF file | Formula: - F6 H2 K2 O Sn - Comments: Kavun, V.Ya.; Tkachenko, I.A.; Gabuda, S.P.; Gerasimenko, A.V.; Trofimov, G.L. Crystal structure refinement of K2 Sn F6 * (H2 O) using single crystal (1)H NMR data Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 43 (2002) 382-386 Space group: F d d d :2 Cell volume: 2836.35 Cell parameters: 11.689; 13.7492; 17.6484; 90; 90; 90; |
COD ID: 1534192 | |
CIF file | Formula: - Cl3 Ir - Comments: Babel, D.; Deigner, P. Die Kristallstruktur von Iridium(III)-Chlorid-beta Zeitschrift fuer Anorganische und Allgemeine Chemie 339 (1965) 57-66 Space group: F d d d :2 Cell volume: 1419.5 Cell parameters: 6.95; 9.81; 20.82; 90; 90; 90; |
COD ID: 1534477 | |
CIF file | Formula: - Cs Mo O6 P - Comments: Leclaire, A.; Guesdon, A.; Borel, M.M.; Berrah, F.; Raveau, B. Two molybdenum(VI) monophosphates with a tunnel structure : A Mo O2 P O4 (A = Cs, Tl) and structural relationships in the series. Solid State Sciences 3 (2001) 877-882 Space group: F d d d :2 Cell volume: 2216.77 Cell parameters: 10.971; 12.601; 16.035; 90; 90; 90; |
COD ID: 1534479 | |
CIF file | Formula: - Mo O6 P Tl - Comments: Leclaire, A.; Guesdon, A.; Borel, M.M.; Berrah, F.; Raveau, B. Two molybdenum(VI) monophosphates with a tunnel structure : A Mo O2 P O4 (A = Cs, Tl) and structural relationships in the series. Solid State Sciences 3 (2001) 877-882 Space group: F d d d :2 Cell volume: 2144.57 Cell parameters: 10.851; 12.452; 15.872; 90; 90; 90; |
COD ID: 1534581 | |
CIF file | Formula: - H45 K7 Na9 O91.5 P2 Pt W18 - Comments: Anderson, T.M.; Neiwert, W.A.; Kirk, M.L.; Rui Cao,; Piccoli, P.M.B.; Schultz, A.J.; Koetzle, F.; Hill, C.L.; Keiji Morokuma,; Musaev, D.G. A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O)L2], L = [P W9 O34]9- Science 306 (2004) 2074-2077 Space group: F d d d :2 Cell volume: 34857.8 Cell parameters: 28.596; 31.788; 38.347; 90; 90; 90; |
COD ID: 1534583 | |
CIF file | Formula: - H49.2 K7.6 Na1.4 O90.5 P2 Pd0.3 W18.7 - Comments: Anderson, T.M.; Musaev, D.G.; Kirk, M.L.; Neiwert, W.A.; Schultz, A.J.; Piccoli, P.M.B.; Koetzle, F. A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O)L2], L = [P W9 O34]9- Science 306 (2004) 2074-2077 Space group: F d d d :2 Cell volume: 34741.4 Cell parameters: 28.637; 31.735; 38.228; 90; 90; 90; |
COD ID: 1534585 | |
CIF file | Formula: - H45 K7 Na9 O91.5 P2 Pt0.5 W18 - Comments: Anderson, T.M.; Neiwert, W.A.; Kirk, M.L.; Koetzle, F.; Piccoli, P.M.B.; Schultz, A.J.; Musaev, D.G. A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O) L2], L = [P W9 O34]9- Science 306 (2004) 2074-2077 Space group: F d d d :2 Cell volume: 34299 Cell parameters: 28.494; 31.687; 37.988; 90; 90; 90; |
COD ID: 1535331 | |
CIF file | Formula: - In1.3 Ir Mg0.7 - Comments: Hlukhyy, V.; Poettgen, R.; Hoffmann, R.D. Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type Intermetallics 12 (2004) 383-387 Space group: F d d d :2 Cell volume: 930.93 Cell parameters: 9.808; 5.281; 17.973; 90; 90; 90; |
COD ID: 1535333 | |
CIF file | Formula: - In1.47 Ir Mg0.53 - Comments: Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R. Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type Intermetallics 12 (2004) 383-387 Space group: F d d d :2 Cell volume: 934.196 Cell parameters: 9.819; 5.288; 17.992; 90; 90; 90; |
COD ID: 1535633 | |
CIF file | Formula: - Li Rb2 S4 V - Comments: Huang, F.Q.; Deng, B.; Ibers, J.A. Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family Journal of Solid State Chemistry 178 (2005) 194-199 Space group: F d d d :2 Cell volume: 1761.78 Cell parameters: 5.8134; 13.083; 23.164; 90; 90; 90; |
COD ID: 1535637 | |
CIF file | Formula: - Cs2 Li S4 V - Comments: Huang, F.Q.; Ibers, J.A.; Deng, B. Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family Journal of Solid State Chemistry 178 (2005) 194-199 Space group: F d d d :2 Cell volume: 1918.81 Cell parameters: 5.8316; 13.6095; 24.177; 90; 90; 90; |
COD ID: 1536008 | |
CIF file | Formula: - H16 O18 P4 Zn4 - Comments: Chen Wenbin; Xiang Shouhe; Li Niu Zn3 (H P O3)4.Zn (H2 O)6: a purely inorganic open-framework zincophosphite with octahedral zinc complex (Zn (H2 O)6)(2+) encapsulating in the channels Journal of Solid State Chemistry 177 (2004) 3229-3234 Space group: F d d d :2 Cell volume: 3542.72 Cell parameters: 9.679; 11.926; 30.691; 90; 90; 90; |
COD ID: 1536138 | |
CIF file | Formula: - H4 O10 Si U2 - Comments: Nozik, Yu.Z.; Kuznetsov, L.M. Neutron diffraction study of synthetic soddyite by the full-profile analysis technique Kristallografiya 35 (1990) 1563-1564 Space group: F d d d :2 Cell volume: 1737.04 Cell parameters: 8.297; 11.219; 18.661; 90; 90; 90; |
COD ID: 1536619 | |
CIF file | Formula: - K12 Na2 O220 Si4 U4 W40 - Comments: Kim Kee-Chan; Gaunt, A.; Pope, M.T. New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-) Journal of Cluster Science 13 (2002) 423-436 Space group: F d d d :2 Cell volume: 44460.9 Cell parameters: 24.18; 31.696; 58.012; 90; 90; 90; |
COD ID: 1536626 | |
CIF file | Formula: - Lu2 S3 - Comments: Kim, S.-J.; Anderegg, J.W.; Franzen, H.F. Structure of a new intermediate Lu2-x S3 Journal of the Less-Common Metals 157 (1990) 133-138 Space group: F d d d :2 Cell volume: 1895.77 Cell parameters: 10.7735; 7.7053; 22.837; 90; 90; 90; |
COD ID: 1537039 | |
CIF file | Formula: - Eu Ga2 Se4 - Comments: Rimet, R.; Roques, R.; Declercq, J.P.; Zanchetta, J.V.; Germain, G. Structure cristalline et proprietes magnetiques de Eu Ga2 Se4 Revue de Chimie Minerale 18 (1981) 277-285 Space group: F d d d :2 Cell volume: 5863.78 Cell parameters: 21.579; 21.336; 12.736; 90; 90; 90; |
COD ID: 1537087 | |
CIF file | Formula: - S8 - Comments: Krossing, I.; Cameron, T.S.; Min Fang; Dionne, I.; Decken, A.; Passmore, J. Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state Chemistry - A European Journal 8 (2002) 3386-3401 Space group: F d d d :2 Cell volume: 3241.08 Cell parameters: 10.393; 12.762; 24.436; 90; 90; 90; |
COD ID: 1537136 | |
CIF file | Formula: - Cs2 Mn Sn Te4 - Comments: Zimmermann, C.; Dehnen, S. Cs2 (Mn Sn Te4): ungewoehnliche Synthese einer quaternaeren Phase mit eindimensionalen, ternaeren Anionenstraengen Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1553-1556 Space group: F d d d :2 Cell volume: 2667.15 Cell parameters: 6.8189; 15.063; 25.967; 90; 90; 90; |
COD ID: 1537523 | |
CIF file | Formula: - Ca Ga2 Se4 - Comments: Klee, W.; Schaefer, H. Darstellung und Struktur von Ba Al2 Se4, Ba Ga2 Se4, Ca Ga2 Se4 und Ca In2 Te4 Zeitschrift fuer Anorganische und Allgemeine Chemie 479 (1981) 125-133 Space group: F d d d :2 Cell volume: 5599.01 Cell parameters: 21.06; 21; 12.66; 90; 90; 90; |
COD ID: 1543200 | |
CIF file | Formula: - C376 H490 Cd24 Cl4 N24 O136 Yb8 - Comments: Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A. Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications. Nanoscale 8(21) (2016) 11123-11129 Space group: F d d d :2 Cell volume: 295857 Cell parameters: 54.07; 60.708; 90.132; 90; 90; 90; |
COD ID: 1543201 | |
CIF file | Formula: - C376 H490 Cd24 Cl4 N24 Nd8 O136 - Comments: Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A. Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications. Nanoscale 8(21) (2016) 11123-11129 Space group: F d d d :2 Cell volume: 303041 Cell parameters: 54.405; 61.195; 91.022; 90; 90; 90; |
COD ID: 1544300 | |
CIF file | Formula: - C12 H8 N2 - Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016) Space group: F d d d :2 Cell volume: 1888 Cell parameters: 9.2584; 12.936; 15.764; 90; 90; 90; |
COD ID: 1548242 | |
CIF file | Formula: - C136 H144 Cu8 N24 O60 - Comments: Fernández de Luis, Roberto; Larrea, Edurne S.; Orive, Joseba; Fidalgo-Marijuan, Arkaitz; Lezama, Luis; Arriortua, María I Open and closed forms of the interpenetrated [Cu<sub>2</sub>(Tae)(Bpa)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>·nH<sub>2</sub>O: magnetic properties and high pressure CO<sub>2</sub>/CH<sub>4</sub> gas sorption. Dalton transactions (Cambridge, England : 2003) 47(3) (2018) 958-970 Space group: F d d d :2 Cell volume: 8835.6 Cell parameters: 10.9218; 23.5976; 34.2826; 90; 90; 90; |
COD ID: 1548243 | |
CIF file | Formula: - C136 H144 Cu8 N24 O54.4 - Comments: Fernández de Luis, Roberto; Larrea, Edurne S.; Orive, Joseba; Fidalgo-Marijuan, Arkaitz; Lezama, Luis; Arriortua, María I Open and closed forms of the interpenetrated [Cu<sub>2</sub>(Tae)(Bpa)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>·nH<sub>2</sub>O: magnetic properties and high pressure CO<sub>2</sub>/CH<sub>4</sub> gas sorption. Dalton transactions (Cambridge, England : 2003) 47(3) (2018) 958-970 Space group: F d d d :2 Cell volume: 8885.1 Cell parameters: 11.1575; 23.7123; 33.583; 90; 90; 90; |
COD ID: 1548340 | |
CIF file | Formula: - Cl16 Cu16 O8 - Comments: Li Zhao; Maria Teresa Fernandez-Diaz; Liu Hao Tjeng; Alexander C. Komarek Oxyhalides: A new class of high-TC multiferroic materials Science Advances 2 (2016) 1600353 Space group: F d d d :2 Cell volume: 692.65 Cell parameters: 7.4477; 9.5989; 9.6888; 90; 90; 90; |
COD ID: 1548505 | |
CIF file | Formula: - C156 H120 Ag4 Cl12 O16 P8 - Comments: Lin Rong Er Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE (2005) 1 Space group: F d d d :2 Cell volume: 30466.9 Cell parameters: 19.4287; 36.4741; 42.9932; 90; 90; 90; |
COD ID: 1549307 | |
CIF file | Formula: - C386 H560 Cd24 N24 O190 Tb8 - Comments: Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science 9(20) (2018) 4630-4637 Space group: F d d d :2 Cell volume: 271228 Cell parameters: 54.777; 61.944; 79.935; 90; 90; 90; |
COD ID: 1549308 | |
CIF file | Formula: - C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 - Comments: Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science 9(20) (2018) 4630-4637 Space group: F d d d :2 Cell volume: 336510 Cell parameters: 54.621; 61.479; 100.21; 90; 90; 90; |
COD ID: 1551281 | |
CIF file | Formula: - C60 H116 O16 P4 Ti4 - Comments: Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D. Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products Chemical Science (2019) Space group: F d d d :2 Cell volume: 14391.9 Cell parameters: 15.2031; 21.8563; 43.312; 90; 90; 90; |
COD ID: 1551366 | |
CIF file | Formula: - C422 H343.5 Cl Co10 F114 N76 O46 P7.5 S23 - Comments: Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism Nature Chemistry 4 (2012) 751-756 Space group: F d d d :2 Cell volume: 451519 Cell parameters: 70.5877; 79.1494; 80.8163; 90; 90; 90; |
COD ID: 1551367 | |
CIF file | Formula: - C423 H345 Cl Co10 F111 N76 O47 P7 S23 - Comments: Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism Nature Chemistry 4 (2012) 751-756 Space group: F d d d :2 Cell volume: 456430 Cell parameters: 70.759; 79.508; 81.13; 90; 90; 90; |
COD ID: 1554015 | |
CIF file | Formula: - C12 H14 I N O - Comments: Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A 120(29) (2016) 5791-5797 Space group: F d d d :2 Cell volume: 9858.3 Cell parameters: 17.0726; 21.6048; 26.727; 90; 90; 90; |
COD ID: 1554349 | |
CIF file | Formula: - C5.5 H5.62 N0.12 O0.5 - Comments: Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect Organic Chemistry Frontiers 5(15) (2018) 2296 Space group: F d d d :2 Cell volume: 16337.2 Cell parameters: 24.1341; 25.4123; 26.638; 90; 90; 90; |
COD ID: 1555262 | |
CIF file | Formula: - C20 H28.9 O8 - Comments: Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I. Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights Chemical Science 10(43) (2019) 9988 Space group: F d d d :2 Cell volume: 3990.1 Cell parameters: 7.3713; 22.951; 23.585; 90; 90; 90; |
COD ID: 1557220 | |
CIF file | Formula: - S8 - Comments: MIKURIYA, Masahiro; TANIGUCHI, Kazuki; KOYAMA, Yoshiki; WATANABE, Hiroaki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; ASATO, Eiji Crystal Structure of S<sub>8</sub> Molecule from Thiourea X-ray Structure Analysis Online 36 (2020) 1-2 Space group: F d d d :2 Cell volume: 3189.7 Cell parameters: 10.331; 12.6786; 24.3519; 90; 90; 90; |
COD ID: 1557585 | |
CIF file | Formula: - C37 H61 Eu N8 O15 - Comments: Hewitt, Sarah H.; Macey, Georgina; Mailhot, Romain; Elsegood, Mark R. J.; Duarte, Fernanda; Kenwright, Alan M.; Butler, Stephen J. Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array Chemical Science 11(14) (2020) 3619-3628 Space group: F d d d :2 Cell volume: 16222.5 Cell parameters: 18.1194; 20.3557; 43.9834; 90; 90; 90; |
COD ID: 1558822 | |
CIF file | Formula: - C39.44 H32.02 Fe2 N13.14 O1.15 - Comments: Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science (2020) Space group: F d d d :2 Cell volume: 8445.3 Cell parameters: 7.0648; 26.4382; 45.215; 90; 90; 90; |
COD ID: 1558823 | |
CIF file | Formula: - C36 H24 Fe2 N12 Na0.51 - Comments: Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science (2020) Space group: F d d d :2 Cell volume: 8533 Cell parameters: 7.0813; 26.493; 45.483; 90; 90; 90; |
COD ID: 1558824 | |
CIF file | Formula: - C36 H24 Fe2 K2.01 N12 - Comments: Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science (2020) Space group: F d d d :2 Cell volume: 8528 Cell parameters: 7.081; 26.535; 45.388; 90; 90; 90; |
COD ID: 1558825 | |
CIF file | Formula: - C36 H24 Fe2 N12 Na2.04 - Comments: Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science (2020) Space group: F d d d :2 Cell volume: 8511.1 Cell parameters: 7.0835; 26.4668; 45.398; 90; 90; 90; |
COD ID: 1558826 | |
CIF file | Formula: - C36 H24 Fe2 Li2 N12 - Comments: Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science (2020) Space group: F d d d :2 Cell volume: 8480.7 Cell parameters: 7.0748; 26.4454; 45.3279; 90; 90; 90; |
COD ID: 1559037 | |
CIF file | Formula: - C20 H18 Cu F12 N6 P2 - Comments: Sletten, Jorunn; Svardal, Kristin; Sorensen, Astrid Coordination Geometries in Bis(di-2-pyridylamine)copper(II) Complexes. Crystal Structures of [CuL2](PF6)2, [CuL2(NO3)2] and [CuL2(NCS)1.5(ClO4)0.5][CuL2(NCS)]2(ClO4)2 (L = Di-2-pyridylamine) Acta Chemica Scandinavica 47 (1993) 1091-1099 Space group: F d d d :2 Cell volume: 5181 Cell parameters: 9.418; 13.472; 40.834; 90; 90; 90; |
COD ID: 1559543 | |
CIF file | Formula: - C22 H44 Cl4 N8 - Comments: Dale, Johannes; Romming, Christian; Sigvartsen, Turid Conformation of 1,3,7,9,13,15,19,21-octaazaquinquecyclo [19.3.1.1(3,7).1(9,13).1(15,19)]octacosane Acta Chemica Scandinavica 45 (1991) 1071-1075 Space group: F d d d :2 Cell volume: 5875 Cell parameters: 10.577; 17.419; 31.889; 90; 90; 90; |
COD ID: 1560606 | |
CIF file | Formula: - C40 H60 N8 Ni4 O42 - Comments: Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds Journal of Solid State Chemistry 247 (2017) 1-7 Space group: F d d d :2 Cell volume: 11778.7 Cell parameters: 14.4277; 24.0577; 33.9348; 90; 90; 90; |
COD ID: 1560607 | |
CIF file | Formula: - C40 H56 Co4 N8 O42 - Comments: Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds Journal of Solid State Chemistry 247 (2017) 1-7 Space group: F d d d :2 Cell volume: 11808.3 Cell parameters: 14.3454; 24.1072; 34.1451; 90; 90; 90; |
COD ID: 1560839 | |
CIF file | Formula: - C52 H61 Co3 N8 O19.5 S6 - Comments: Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P. 3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties. Molecules (Basel, Switzerland) 26(5) (2021) 1269 Space group: F d d d :2 Cell volume: 25670 Cell parameters: 11.746; 42.15; 51.849; 90; 90; 90; |
COD ID: 1560999 | |
CIF file | Formula: - C56 H46 N8 Ni2 O8 Si - Comments: Li, Qi; Guo, Tiantian; Lv, Xin; Lin, Yifang; Dai, Zhihui; Fang, Min; Bao, Jianchun; Wu, Yong Two Ni(II) semiconducting metal-organic frameworks based on the tetrakis(4-carboxyphenyl)silane and an imidazole ligand: Syntheses, characterization, water stability and photoelectric properties Journal of Solid State Chemistry 265 (2018) 100-108 Space group: F d d d :2 Cell volume: 31375 Cell parameters: 16.693; 21.059; 89.25; 90; 90; 90; |
COD ID: 1561211 | |
CIF file | Formula: - C28 H30 Cu F4 N8 O6 - Comments: Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties Journal of Solid State Chemistry 258 (2018) 24-31 Space group: F d d d :2 Cell volume: 12308 Cell parameters: 19.0611; 23.7425; 27.1964; 90; 90; 90; |
COD ID: 1561470 | |
CIF file | Formula: - Cu H2 I3 O2 Pb2 - Comments: Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K. A naturally-occurring new lead-based halocuprate(I) Journal of Solid State Chemistry 238 (2016) 9-14 Space group: F d d d :2 Cell volume: 7320 Cell parameters: 16.7082; 20.8465; 21.0159; 90; 90; 90; |
COD ID: 1561471 | |
CIF file | Formula: - Cu H2 I3 O2 Pb2 - Comments: Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K. A naturally-occurring new lead-based halocuprate(I) Journal of Solid State Chemistry 238 (2016) 9-14 Space group: F d d d :2 Cell volume: 7320 Cell parameters: 16.7082; 20.8465; 21.0159; 90; 90; 90; |
COD ID: 1562461 | |
CIF file | Formula: - C40 H56 B4 N16 U - Comments: DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M. Actinide tetra-N-heterocyclic carbene ‘sandwiches’ Chemical Science (2021) Space group: F d d d :2 Cell volume: 10903 Cell parameters: 14.118; 20.636; 37.423; 90; 90; 90; |
COD ID: 1563767 | |
CIF file | Formula: - Cu Mg2 - Comments: Braga, M.H.; Ferreira, J.J.A.; Siewenie, J.; Proffen, Th.; Vogel, S.C.; Daemen, L.L. Neutron powder diffraction and first-principles computational studies of CuLixMg2−x (x≅0.08), CuMg2, and Cu2Mg Journal of Solid State Chemistry 183(1) (2010) 10-19 Space group: F d d d :2 Cell volume: 869.74 Cell parameters: 5.2625; 9.0278; 18.307; 90; 90; 90; |
COD ID: 1563792 | |
CIF file | Formula: - C105 H72 O33 Pb11 - Comments: Xiao, Jun-Xia; Ma, De-Yun Syntheses, structures, luminescent and catalytic properties of two 3D metal-organic frameworks Inorganica Chimica Acta 483 (2018) 6-11 Space group: F d d d :2 Cell volume: 47544 Cell parameters: 26.6681; 31.3068; 56.946; 90; 90; 90; |
COD ID: 1563858 | |
CIF file | Formula: - C24 H16 Cu N4 O8 Yb - Comments: Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties Inorganica Chimica Acta 483 (2018) 299-304 Space group: F d d d :2 Cell volume: 7068 Cell parameters: 12.506; 22.88; 24.7; 90; 90; 90; |
COD ID: 1565408 | |
CIF file | Formula: - C12 H25 N3 O12 V - Comments: Visayas, Benjoe Rey Baguio; Pahari, Shyam K.; Gokoglan, Tugba Ceren; Golen, James A.; Agar, Ertan; Cappillino, Patrick; Mayes, Maricris Lodriguito Computational and Experimental Investigation of the Effect of Cation Structure on the Solubility of Anionic Flow Battery Active-Materials Chemical Science (2021) Space group: F d d d :2 Cell volume: 8017 Cell parameters: 15.926; 18.696; 26.925; 90; 90; 90; |
COD ID: 1566198 | |
CIF file | Formula: - C68 H48 F16 O8 - Comments: Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl Nonspherical anion sequestration by C–H hydrogen bonding Chemical Science (2022) Space group: F d d d :2 Cell volume: 32579 Cell parameters: 28.0557; 31.8586; 36.449; 90; 90; 90; |
COD ID: 1567064 | |
CIF file | Formula: - C70 H89 N O12 - Comments: Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science (2022) Space group: F d d d :2 Cell volume: 15309.3 Cell parameters: 12.556; 26.6378; 45.7727; 90; 90; 90; |
COD ID: 1567115 | |
CIF file | Formula: - C72 H48 Ag13 F18 N6 O18 S6 - Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103 Space group: F d d d :2 Cell volume: 28739 Cell parameters: 16.1557; 30.2077; 58.888; 90; 90; 90; |
COD ID: 1567668 | |
CIF file | Formula: - Ga2 S4 Sr - Comments: Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties Chemical Science 13(36) (2022) 10725-10733 Space group: F d d d :2 Cell volume: 5222.2 Cell parameters: 12.2216; 20.5008; 20.8426; 90; 90; 90; |
COD ID: 1567748 | |
CIF file | Formula: - C3 H6 N2 O - Comments: Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science 13(41) (2022) 12100-12106 Space group: F d d d :2 Cell volume: 1574.41 Cell parameters: 9.97; 11.8236; 13.3559; 90; 90; 90; |
COD ID: 1569994 | |
CIF file | Formula: - C68 H56 Co N4 O2 S4 - Comments: Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ 10(6) (2023) Space group: F d d d :2 Cell volume: 14252.7 Cell parameters: 9.8404; 21.4458; 67.537; 90; 90; 90; |
COD ID: 1569995 | |
CIF file | Formula: - C68 H56 N4 Ni O2 S4 - Comments: Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ 10(6) (2023) Space group: F d d d :2 Cell volume: 14298 Cell parameters: 9.8621; 21.6164; 67.069; 90; 90; 90; |
COD ID: 1569996 | |
CIF file | Formula: - C68 H56 N6 O8 S4 Zn - Comments: Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ 10(6) (2023) Space group: F d d d :2 Cell volume: 14233.7 Cell parameters: 9.8296; 21.4844; 67.4; 90; 90; 90; |
COD ID: 1569997 | |
CIF file | Formula: - C68 H56 Cd N6 O8 S4 - Comments: Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ 10(6) (2023) Space group: F d d d :2 Cell volume: 14544 Cell parameters: 9.8116; 21.432; 69.162; 90; 90; 90; |
COD ID: 1570365 | |
CIF file | Formula: - C142 H140 Ni10 O S20 - Comments: Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis. Nanoscale 15(47) (2023) 19079-19084 Space group: F d d d :2 Cell volume: 34079 Cell parameters: 23.4478; 30.2351; 48.07; 90; 90; 90; |
COD ID: 1570892 | |
CIF file | Formula: - C140 H140 Ni10 S20 - Comments: Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties. Nanoscale 16(9) (2024) 4563-4570 Space group: F d d d :2 Cell volume: 34022 Cell parameters: 23.4881; 30.1131; 48.101; 90; 90; 90; |
COD ID: 1572450 | |
CIF file | Formula: - C96 H108 Cu4 Na4 O32 Si12 - Comments: Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes. Nanoscale 16(39) (2024) 18389-18398 Space group: F d d d :2 Cell volume: 22131.1 Cell parameters: 43.4569; 40.1289; 12.69074; 90; 90; 90; |
COD ID: 1573024 | |
CIF file | Formula: - C136 H158 - Comments: Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures. Chemical science 15(40) (2024) 16529-16535 Space group: F d d d :2 Cell volume: 51584 Cell parameters: 46.521; 45.59; 24.322; 90; 90; 90; |
COD ID: 2002180 | |
CIF file | Formula: - Cl2 Cu2 O - Comments: Arpe, R; Mueller-Buschbaum, Hk Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 380-382 Space group: F d d d :2 Cell volume: 695 Cell parameters: 9.699; 9.603; 7.462; 90; 90; 90; |
COD ID: 2003173 | |
CIF file | Formula: - Ca7 O36 Ta6 Zr7 - Comments: Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data Acta Crystallographica Section B 55(3) (1999) 313-320 Space group: F d d d :2 Cell volume: 8313.6 Cell parameters: 36.394; 7.3674; 31.006; 90; 90; 90; |
COD ID: 2006506 | |
CIF file | Formula: - C22 H46 Si4 - Comments: Nagel, Norbert; Ansari, Manssur; Bock, Hans 1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene at 150K Acta Crystallographica Section C 53(9) (1997) 1329-1331 Space group: F d d d :2 Cell volume: 5522.9 Cell parameters: 16.2226; 17.8756; 19.0452; 90; 90; 90; |
COD ID: 2008571 | |
CIF file | Formula: - As Mo O6 Rb - Comments: Zid, Mohamed Faouzi; Jouini, Tahar RbMoO~2~AsO~4~ Acta Crystallographica Section C 55(6) (1999) 843-845 Space group: F d d d :2 Cell volume: 2308.8 Cell parameters: 12.694; 16.353; 11.122; 90; 90; 90; |
COD ID: 2010504 | |
CIF file | Formula: - C30 H40 N6 S8 Zn2 - Comments: Chen, Xiao-Feng; Liu, Shu-Hua; Zhu, Xu-Hui; Vittal, Jagadese J.; Tan, Goek-Kheng; You, Xiao-Zeng μ-(4,4'-Bipyridine)-<i>N</i>:<i>N</i>'-bis[bis-(pyrrolidinedithiocarboxylato-<i>S</i>,<i>S</i>')zinc(II)] Acta Crystallographica Section C 56(1) (2000) 42-43 Space group: F d d d :2 Cell volume: 7760.47 Cell parameters: 11.7643; 19.9965; 32.9889; 90; 90; 90; |
COD ID: 2010573 | |
CIF file | Formula: - C7 H11 Br N2 - Comments: Mayr-Stein, Ralf; Bolte, Michael 4-Dimethylaminopyridinium bromide Acta Crystallographica Section C 56(1) (2000) e19-e20 Space group: F d d d :2 Cell volume: 3512.4 Cell parameters: 6.9804; 19.256; 26.131; 90; 90; 90; |
COD ID: 2011333 | |
CIF file | Formula: - C16 H32 Cd I10 O8 - Comments: Wieczorrek, Carsten Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie Acta Crystallographica Section C 56(9) (2000) 1082-1084 Space group: F d d d :2 Cell volume: 7782.7 Cell parameters: 10.914; 21.758; 32.774; 90; 90; 90; |
COD ID: 2011430 | |
CIF file | Formula: - Ca2 Na3 O6 Ta - Comments: Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko Na~3~Ca~2~TaO~6~, a rock-salt superstructure phase with a fully ordered cation arrangement Acta Crystallographica Section C 56(10) (2000) 1177-1178 Space group: F d d d :2 Cell volume: 1229.6 Cell parameters: 6.5948; 9.493; 19.64; 90; 90; 90; |
COD ID: 2013790 | |
CIF file | Formula: - C16 H14 Br4 Hg3 N8 S4 - Comments: Matković-Čalogović, Dubravka; Mrvoš-Sermek, Draginja; Popović, Zora; Soldin, Željka A new complex of HgBr~2~ and pyrimidine-2-thione: (pyrimidine-2-thionato-κ<i>S</i>)(pyrimidinium-2-thionato-κ<i>S</i>)mercury(II) tetrabromomercury(II) Acta Crystallographica Section C 60(2) (2004) m44-m46 Space group: F d d d :2 Cell volume: 5881.5 Cell parameters: 9.0573; 17.1999; 37.754; 90; 90; 90; |
COD ID: 2017053 | |
CIF file | Formula: - C10 H24 La2 O18 - Comments: Koner, Rajesh; Goldberg, Israel Two- and three-dimensional hydrated coordination polymers of diaqualanthanum(3+) ions with 2-hydroxypropanedioate, oxalate and acetate anions as bridging ligands Acta Crystallographica Section C 65(4) (2009) m160-m164 Space group: F d d d :2 Cell volume: 4425.68 Cell parameters: 12.1763; 13.3596; 27.2064; 90; 90; 90; |
COD ID: 2022531 | |
CIF file | Formula: - C16 H13 Gd N3 O8 - Comments: Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure Acta Crystallographica Section C 78(2) (2022) Space group: F d d d :2 Cell volume: 8593.4 Cell parameters: 17.9185; 18.0874; 26.5146; 90; 90; 90; |
COD ID: 2022920 | |
CIF file | Formula: - C38 H52 N5 O11 S2 V2 - Comments: Kodama, Shintaro; Hashiguchi, Terushi; Nomoto, Akihiro Crystal structure of (μ-hydrogen di-sulfato)-μ-oxido-bis-[(4,4'-di-<i>tert</i>-butyl-2,2'-bi-pyridine)-oxidovanadium(IV/V)] aceto-nitrile monosolvate. Acta crystallographica. Section E, Crystallographic communications 79(Pt 11) (2023) 1055-1058 Space group: F d d d :2 Cell volume: 17958.9 Cell parameters: 13.0134; 34.9495; 39.4864; 90; 90; 90; |
COD ID: 2100521 | |
CIF file | Formula: - C6 D7 N O - Comments: Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature Acta Crystallographica Section B 62(4) (2006) 627-633 Space group: F d d d :2 Cell volume: 2431.37 Cell parameters: 12.1382; 10.2367; 19.5676; 90; 90; 90; |
COD ID: 2104414 | |
CIF file | Formula: - C4 H2 O4 Sr - Comments: Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study Acta Crystallographica Section B 65(4) (2009) 481-487 Space group: F d d d :2 Cell volume: 1041.1 Cell parameters: 10.59801; 9.81628; 10.00739; 90; 90; 90; |
COD ID: 2106359 | |
CIF file | Formula: - Na2 O4 Se - Comments: Kalman, A.; Cruickshank, D.W.J. A note on the structure of Na2 Se O4 Acta Crystallographica B (24,1968-38,1982) 26 (1970) 436-436 Space group: F d d d :2 Cell volume: 780.38 Cell parameters: 6.099; 12.59; 10.163; 90; 90; 90; |
COD ID: 2106591 | |
CIF file | Formula: - Co In2 - Comments: Stadelmaier, H.H.; Manaktala, H.K. Intermetallic Co In2 , a representivtative of the Cu Mg2 structure type Acta Crystallographica B (24,1968-38,1982) 31 (1975) 374-378 Space group: F d d d :2 Cell volume: 886.257 Cell parameters: 9.402; 17.846; 5.282; 90; 90; 90; |
COD ID: 2106982 | |
CIF file | Formula: - Ge Hg2 O4 - Comments: Hesse, K.F.; Eysel, W. Structure of Dimercury(II) Germanate(IV) Acta Crystallographica B (24,1968-38,1982) 37 (1981) 429-431 Space group: F d d d :2 Cell volume: 803.552 Cell parameters: 6.603; 10.596; 11.485; 90; 90; 90; |
COD ID: 2107211 | |
CIF file | Formula: - F In O - Comments: Vlasse, M.; Chamberland, B.L.; Massies, J.C. Etude structurale de l'oxyfluorure d'indium Acta Crystallographica B (24,1968-38,1982) 29 (1973) 627-631 Space group: F d d d :2 Cell volume: 599.119 Cell parameters: 8.356; 10.186; 7.039; 90; 90; 90; |
COD ID: 2200229 | |
CIF file | Formula: - C14 H16 Mg N2 O9 - Comments: Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Yoon Hee; Lee, Shim Sung A magnesium(II) complex of 1,10-phenanthroline-2,9-dicarboxylate Acta Crystallographica Section E 57(4) (2001) m154-m156 Space group: F d d d :2 Cell volume: 6632.8 Cell parameters: 7.4194; 19.044; 46.943; 90; 90; 90; |
COD ID: 2202290 | |
CIF file | Formula: - Se3 Yb2 - Comments: Assoud, Abdeljalil; Kleinke, Holger The sesquiselenide Yb~2~Se~3~ Acta Crystallographica, Section E 59 (2003) i103-i104 Space group: F d d d :2 Cell volume: 2165.7 Cell parameters: 8.0183; 11.272; 23.961; 90; 90; 90; |
COD ID: 2203239 | |
CIF file | Formula: - Li Mn2 O4 - Comments: Tateishi, Kenji; Suda, Katsumi; du Boulay, Douglas; Ishizawa, Nobuo; Oishi, Shuji LiMn~2~O~4~: a spinel-related low-temperature modification Acta Crystallographica, Section E 60(2) (2004) i18-i21 Space group: F d d d :2 Cell volume: 5051.3 Cell parameters: 24.755; 24.8832; 8.2003; 90; 90; 90; |
COD ID: 2203401 | |
CIF file | Formula: - C30 H28 Cl2 Cu2 N6 O10 - Comments: Jian Zhang; Yao Kang; Yi-Hang Wen; Zhao-Ji Li; Ye-Yan Qin; Jian-Kai Cheng; Yuan-Gen Yao Poly[[dicopper(I)-tri-μ-4,4'-bipyridyl] diperchlorate dihydrate] Acta Crystallographica Section E 60(4) (2004) m504-m505 Space group: F d d d :2 Cell volume: 13344.1 Cell parameters: 18.777; 23.3593; 30.4231; 90; 90; 90; |
COD ID: 2203429 | |
CIF file | Formula: - C6 K2 O6 - Comments: Cowan, John A.; Howard, J.A.K. Dipotassium rhodizonate Acta Crystallographica Section E 60(4) (2004) m511-m513 Space group: F d d d :2 Cell volume: 1586 Cell parameters: 8.426; 12.011; 15.671; 90; 90; 90; |
COD ID: 2204110 | |
CIF file | Formula: - C12 H34 Cl2 Cu2 N4 O2 - Comments: Dmitry V. Albov; Dmitry V. Davydov; Vladimir V. Chernyshev Di-μ-hydroxo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)] dichloride from X-ray powder data Acta Crystallographica Section E 60(8) (2004) m1193-m1195 Space group: F d d d :2 Cell volume: 3832 Cell parameters: 16.612; 18.311; 12.598; 90; 90; 90; |
COD ID: 2204146 | |
CIF file | Formula: - C16 H24 N4 O10 Zn - Comments: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng <i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-1,4-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrate] Acta Crystallographica Section E 60(9) (2004) m1329-m1330 Space group: F d d d :2 Cell volume: 8688.2 Cell parameters: 11.323; 18.517; 41.438; 90; 90; 90; |
COD ID: 2206926 | |
CIF file | Formula: - C6 Na2 O6 - Comments: Dinnebier, Robert E.; Nuss, Hanne; Jansen, Martin Disodium rhodizonate: a powder diffraction study Acta Crystallographica Section E 61(10) (2005) m2148-m2150 Space group: F d d d :2 Cell volume: 1303.25 Cell parameters: 11.48349; 14.3208; 7.92477; 90; 90; 90; |
COD ID: 2210260 | |
CIF file | Formula: - C10 H8 Cu2 N13 - Comments: Yu, Ming-Ming; Kou, Hui-Zhong; Ni, Zhong-Hai; Ge, Chun-Hua; Cui, Ai-Li A three-dimensional polymeric mixed-valence copper complex: poly[tri-μ-azido-μ-di-2-pyridyldiazene-dicopper(I,II)] Acta Crystallographica Section E 62(9) (2006) m2050-m2051 Space group: F d d d :2 Cell volume: 6495 Cell parameters: 13.52; 18.127; 26.501; 90; 90; 90; |
COD ID: 2212578 | |
CIF file | Formula: - Bi Ca2 Na3 O6 - Comments: Puzdrjakova, Irina V.; Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad Trisodium dicalcium bismuth hexaoxide Acta Crystallographica Section E 63(3) (2007) i95-i96 Space group: F d d d :2 Cell volume: 1287.1 Cell parameters: 6.7039; 9.6251; 19.947; 90; 90; 90; |
COD ID: 2213112 | |
CIF file | Formula: - C18 H16 N2 - Comments: Britton, Doyle; Silva, Saliya A. de 3,3',5,5'-Tetramethylbiphenyl-4,4'-dicarbonitrile Acta Crystallographica Section E 63(5) (2007) o2252-o2253 Space group: F d d d :2 Cell volume: 2827.2 Cell parameters: 7.4694; 16.812; 22.514; 90; 90; 90; |
COD ID: 2213118 | |
CIF file | Formula: - C3 H10 Cl N3 - Comments: Weinmann, Markus; Nuss, Jürgen; Jansen, Martin <i>N</i>,<i>N</i>-Dimethylguanidinium chloride Acta Crystallographica Section E 63(5) (2007) o2767-o2769 Space group: F d d d :2 Cell volume: 2483.5 Cell parameters: 6.7568; 15.732; 23.364; 90; 90; 90; |
COD ID: 2213608 | |
CIF file | Formula: - C28 H44 Ag2 N4 O13 - Comments: Yan, Guo-Bing; Ng, Seik Weng <i>catena</i>-Poly[bis[silver(I)-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>'] fumarate nonahydrate] Acta Crystallographica Section E 63(5) (2007) m1368-m1369 Space group: F d d d :2 Cell volume: 6923.3 Cell parameters: 13.557; 15.284; 33.413; 90; 90; 90; |
COD ID: 2215231 | |
CIF file | Formula: - C14 H18 Li2 O8 - Comments: Steyl, Gideon Tetraaqualithium(I) bis(tropolonato-κ^2^<i>O</i>,<i>O</i>')lithate(I) Acta Crystallographica Section E 63(9) (2007) m2343-m2343 Space group: F d d d :2 Cell volume: 3080.6 Cell parameters: 9.4452; 10.0151; 32.566; 90; 90; 90; |
COD ID: 2218789 | |
CIF file | Formula: - C2 H4 Mg O6 - Comments: Chen, Xue-An; Song, Fang-Ping; Chang, Xin-An; Zang, He-Gui; Xiao, Wei-Qiang A new polymorph of magnesium oxalate dihydrate Acta Crystallographica Section E 64(7) (2008) m863 Space group: F d d d :2 Cell volume: 1054.1 Cell parameters: 5.394; 12.691; 15.399; 90; 90; 90; |
COD ID: 2219045 | |
CIF file | Formula: - C8 H8 N4 O2 - Comments: Kakanejadifard, Ali; Amani, Vahid (2<i>Z</i>,3<i>Z</i>)-Quinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione dioxime Acta Crystallographica Section E 64(8) (2008) o1512 Space group: F d d d :2 Cell volume: 3257 Cell parameters: 9.831; 13.609; 24.344; 90; 90; 90; |
COD ID: 2225526 | |
CIF file | Formula: - C14 H16 Co N2 O9 - Comments: Shi, Zi-Fa; Gao, Zhu-Qing; Gu, Jin-Zhong Triaqua(1,10-phenanthroline-2,9-dicarboxylato)cobalt(II) dihydrate Acta Crystallographica Section E 66(4) (2010) m372-m373 Space group: F d d d :2 Cell volume: 6536.1 Cell parameters: 7.4093; 18.9267; 46.609; 90; 90; 90; |
COD ID: 2228407 | |
CIF file | Formula: - C38 H28 Ag2 Cl2 N12 O8 S4 - Comments: Zhu, Hai-Bin Bis(μ-bis{[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl}methane)disilver(I) bis(perchlorate) Acta Crystallographica Section E 66(12) (2010) m1691 Space group: F d d d :2 Cell volume: 8761 Cell parameters: 10.4382; 27.896; 30.089; 90; 90; 90; |
COD ID: 2229017 | |
CIF file | Formula: - C24 H26 Co N4 O6 - Comments: Xu, Mai; Wei, Yi-Jun; Wang, Feng-Wu Bis[2-(cyclopentyliminomethyl)-4-nitrophenolato-κ^2^<i>N</i>^2^,<i>O</i>]cobalt(II) Acta Crystallographica Section E 67(2) (2011) m245 Space group: F d d d :2 Cell volume: 10204 Cell parameters: 18.057; 18.792; 30.07; 90; 90; 90; |
COD ID: 2233956 | |
CIF file | Formula: - C11 H23 N O2 - Comments: Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen 2,2'-[(2<i>S</i>*,6<i>R</i>*)-Piperidine-2,6-diyl]dipropan-2-ol Acta Crystallographica Section E 68(3) (2012) o857 Space group: F d d d :2 Cell volume: 9775.8 Cell parameters: 12.0713; 23.4762; 34.496; 90; 90; 90; |
COD ID: 2237157 | |
CIF file | Formula: - C10 H20 Er2 O20 - Comments: Yang, Qing-Feng; Wang, Xiao-Zhong; Xue, Ping Poly[[tetraaquadi-μ~4~-fumarato-μ~2~-oxalato-dierbium(III)] tetrahydrate] Acta Crystallographica Section E 69(1) (2013) m52 Space group: F d d d :2 Cell volume: 4028.5 Cell parameters: 9.6016; 15.701; 26.722; 90; 90; 90; |
COD ID: 2237340 | |
CIF file | Formula: - C20 H20 Br2 N4 Ru - Comments: Wu, Xiu-Li; Ye, Ru-Fei; Jia, Ai-Quan; Chen, Qun; Zhang, Qian-Feng <i>trans</i>-Dibromidotetrakis(pyridine-κ<i>N</i>)ruthenium(II) Acta Crystallographica Section E 69(2) (2013) m105 Space group: F d d d :2 Cell volume: 8610 Cell parameters: 16.83; 22.032; 23.221; 90; 90; 90; |
COD ID: 2237835 | |
CIF file | Formula: - C30 H28 O6 - Comments: Sasagawa, Kosuke; Sakamoto, Rei; Hijikata, Daichi; Yonezawa, Noriyuki; Okamoto, Akiko (4-Ethoxybenzoyl)[8-(4-ethoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone Acta Crystallographica Section E 69(5) (2013) o651 Space group: F d d d :2 Cell volume: 9708 Cell parameters: 19.6446; 21.5251; 22.9585; 90; 90; 90; |
COD ID: 2240592 | |
CIF file | Formula: - Ba Cl2 O8 - Comments: Lee, Jeonghoo H.; Kang, Ji Hoon; Lim, Sung-Chul; Hong, Seung-Tae Crystal structure of barium perchlorate anhydrate, Ba(ClO~4~)~2~, from laboratory X-ray powder data Acta Crystallographica Section E 71(6) (2015) 588-591 Space group: F d d d :2 Cell volume: 1218.1 Cell parameters: 14.304; 11.688; 7.2857; 90; 90; 90; |
COD ID: 2244009 | |
CIF file | Formula: - C18 H15 N2 O0.5 - Comments: Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I. Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine Acta Crystallographica Section E 78(2) (2022) Space group: F d d d :2 Cell volume: 5345.8 Cell parameters: 7.2131; 13.8648; 53.4532; 90; 90; 90; |
COD ID: 2310101 | |
CIF file | Formula: - B0.9 Cr0.9 Fe1.1 - Comments: Brown, B.E.; Beerntsen, D.J. Refinement of an iron chromium boride with the Mn4 B structure Acta Crystallographica (1,1948-23,1967) 17 (1964) 448-450 Space group: F d d d :2 Cell volume: 450.073 Cell parameters: 14.57; 7.32; 4.22; 90; 90; 90; |
COD ID: 2310804 | |
CIF file | Formula: - S8 - Comments: Abrahams, S.C. The crystal and molecular structure of orthorhombic sulphur Acta Crystallographica (1,1948-23,1967) 8 (1955) 661-671 Space group: F d d d :2 Cell volume: 3266.99 Cell parameters: 10.437; 12.845; 24.369; 90; 90; 90; |
COD ID: 3500054 | |
CIF file | Formula: - Li3 Mg2 Nb O6 - Comments: Armel Le Bail A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182 Personal communication to COD (2016) Space group: F d d d :2 Cell volume: 892.69 Cell parameters: 8.55706; 5.8935; 17.7013; 90; 90; 90; |
COD ID: 3500055 | |
CIF file | Formula: - Li3 Mg2 Nb O6 - Comments: Armel Le Bail A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182 Personal communication to COD (2016) Space group: F d d d :2 Cell volume: 896.37 Cell parameters: 8.55816; 5.90289; 17.7437; 90; 90; 90; |
COD ID: 4000644 | |
CIF file | Formula: - C12 H6 O6 Sc - Comments: Perles, Josefina; Iglesias, Marta; Martín-Luengo, Maria-Ángeles; Monge, M. Ángeles; Ruiz-Valero, Caridad; Snejko, Natalia Metal−Organic Scandium Framework: Useful Material for Hydrogen Storage and Catalysis Chemistry of Materials 17(23) (2005) 5837-5842 Space group: F d d d :2 Cell volume: 6233.3 Cell parameters: 8.7433; 20.7448; 34.3664; 90; 90; 90; |
COD ID: 4001083 | |
CIF file | Formula: - C17 H9 F6 In O5 - Comments: Gándara, F.; Gomez-Lor, B.; Gutiérrez-Puebla, E.; Iglesias, M.; Monge, M. A.; Proserpio, D. M.; Snejko, N. An Indium Layered MOF as Recyclable Lewis Acid Catalyst Chemistry of Materials 20(1) (2008) 72 Space group: F d d d :2 Cell volume: 8011.6 Cell parameters: 7.1145; 25.8569; 43.551; 90; 90; 90; |
COD ID: 4001084 | |
CIF file | Formula: - C20 H9 F6 In O5 - Comments: Gándara, F.; Gomez-Lor, B.; Gutiérrez-Puebla, E.; Iglesias, M.; Monge, M. A.; Proserpio, D. M.; Snejko, N. An Indium Layered MOF as Recyclable Lewis Acid Catalyst Chemistry of Materials 20(1) (2008) 72 Space group: F d d d :2 Cell volume: 8044.9 Cell parameters: 7.1213; 25.8933; 43.629; 90; 90; 90; |
COD ID: 4001243 | |
CIF file | Formula: - Li3.06 Mg1.94 O6 Ru - Comments: Derakhshan, Shahab; Greedan, John E.; Katsumata, Tetsuhiro; Cranswick, Lachlan M. D. Long-Range Antiferromagnetic Ordering in the Novel Magnetically Frustrated Rock Salt Oxide System: Li3Mg2RuO6 Chemistry of Materials 20(17) (2008) 5714 Space group: F d d d :2 Cell volume: 873.08 Cell parameters: 5.87589; 8.42064; 17.6455; 90; 90; 90; |
COD ID: 4001939 | |
CIF file | Formula: - C7 H7 In N3 O9.5 - Comments: Zhao, Xiang; Mao, Chengyu; Bu, Xianhui; Feng, Pingyun Direct Observation of Two Types of Proton Conduction Tunnels Coexisting in a New Porous Indium‒Organic Framework Chemistry of Materials 26(8) (2014) 2492 Space group: F d d d :2 Cell volume: 9928.4 Cell parameters: 17.2988; 18.119; 31.676; 90; 90; 90; |
COD ID: 4002643 | |
CIF file | Formula: - B2 H8 Mn - Comments: Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density Chemistry of Materials 28(1) (2016) 274 Space group: F d d d :2 Cell volume: 1084 Cell parameters: 12.638; 9.321; 9.205; 90; 90; 90; |
COD ID: 4003191 | |
CIF file | Formula: - C12 H6 O6 Sc - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6230.5 Cell parameters: 8.7442; 20.7536; 34.333; 90; 90; 90; |
COD ID: 4003192 | |
CIF file | Formula: - C12 H6 O6 Sc - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6268 Cell parameters: 8.777; 20.772; 34.38; 90; 90; 90; |
COD ID: 4003193 | |
CIF file | Formula: - C24 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6178 Cell parameters: 8.681; 20.723; 34.341; 90; 90; 90; |
COD ID: 4003194 | |
CIF file | Formula: - C25.8 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6232 Cell parameters: 8.7561; 20.752; 34.297; 90; 90; 90; |
COD ID: 4003195 | |
CIF file | Formula: - C30 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6169.1 Cell parameters: 8.7373; 20.691; 34.124; 90; 90; 90; |
COD ID: 4003196 | |
CIF file | Formula: - C29 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6188.1 Cell parameters: 8.7185; 20.7142; 34.265; 90; 90; 90; |
COD ID: 4003197 | |
CIF file | Formula: - C24 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6225.5 Cell parameters: 8.7578; 20.7293; 34.292; 90; 90; 90; |
COD ID: 4003198 | |
CIF file | Formula: - C30 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6202.8 Cell parameters: 8.7745; 20.668; 34.203; 90; 90; 90; |
COD ID: 4003199 | |
CIF file | Formula: - C30 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6165.4 Cell parameters: 8.6945; 20.808; 34.079; 90; 90; 90; |
COD ID: 4003200 | |
CIF file | Formula: - C30 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6165.4 Cell parameters: 8.6945; 20.808; 34.079; 90; 90; 90; |
COD ID: 4003201 | |
CIF file | Formula: - C28.5 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6243 Cell parameters: 8.779; 20.742; 34.287; 90; 90; 90; |
COD ID: 4003202 | |
CIF file | Formula: - C30 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6243 Cell parameters: 8.779; 20.742; 34.287; 90; 90; 90; |
COD ID: 4003203 | |
CIF file | Formula: - C30 H12 O12 Sc2 - Comments: McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A. Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules Chemistry of Materials 28(2) (2016) 466 Space group: F d d d :2 Cell volume: 6243 Cell parameters: 8.779; 20.742; 34.287; 90; 90; 90; |
COD ID: 4003633 | |
CIF file | Formula: - C72 H78 F6 O8 Sb - Comments: Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity Chemistry of Materials 32(14) (2020) 5927-5936 Space group: F d d d :2 Cell volume: 25536.7 Cell parameters: 18.2924; 23.5585; 59.258; 90; 90; 90; |
COD ID: 4003835 | |
CIF file | Formula: - C7.25 H11.5 Cl0.5 F3 K N O3 S - Comments: Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures Chemistry of Materials 32(24) (2020) 10423-10434 Space group: F d d d :2 Cell volume: 19745 Cell parameters: 18.2533; 32.815; 32.965; 90; 90; 90; |
COD ID: 4022410 | |
CIF file | Formula: - C26 H20 N4 - Comments: Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers Journal of Organic Chemistry 68 (2003) 8291-8304 Space group: F d d d :2 Cell volume: 3978.5 Cell parameters: 17.009; 27.519; 8.5; 90; 90; 90; |
COD ID: 4022550 | |
CIF file | Formula: - C16 H20 O8 - Comments: Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate Journal of Organic Chemistry 68 (2003) 8715-8718 Space group: F d d d :2 Cell volume: 3308 Cell parameters: 12.707; 13.653; 19.07; 90; 90; 90; |
COD ID: 4027803 | |
CIF file | Formula: - Ag Cs2 Nb S4 - Comments: Klepp, K.O.; Gabl, G. New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4 European Journal of Solid State Inorganic Chemistry 34 (1997) 1119-1131 Space group: F d d d :2 Cell volume: 2061.66 Cell parameters: 5.9468; 14.09; 24.605; 90; 90; 90; |
COD ID: 4027804 | |
CIF file | Formula: - Ag Cs2 S4 Ta - Comments: Gabl, G.; Klepp, K.O. New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4 European Journal of Solid State Inorganic Chemistry 34 (1997) 1119-1131 Space group: F d d d :2 Cell volume: 2073.38 Cell parameters: 5.976; 14.098; 24.61; 90; 90; 90; |
COD ID: 4027809 | |
CIF file | Formula: - Ag K2 Nb S4 - Comments: Klepp, K.O.; Gabl, G. New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4 European Journal of Solid State Inorganic Chemistry 34 (1997) 1119-1131 Space group: F d d d :2 Cell volume: 1767.61 Cell parameters: 5.913; 13.201; 22.645; 90; 90; 90; |
COD ID: 4027810 | |
CIF file | Formula: - Ag K2 S4 Ta - Comments: Klepp, K.O.; Gabl, G. New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4 European Journal of Solid State Inorganic Chemistry 34 (1997) 1119-1131 Space group: F d d d :2 Cell volume: 1771.86 Cell parameters: 5.929; 13.197; 22.645; 90; 90; 90; |
COD ID: 4027811 | |
CIF file | Formula: - Ag Rb2 S4 Ta - Comments: Gabl, G.; Klepp, K.O. New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4 European Journal of Solid State Inorganic Chemistry 34 (1997) 1119-1131 Space group: F d d d :2 Cell volume: 1896.98 Cell parameters: 5.953; 13.56; 23.5; 90; 90; 90; |
COD ID: 4030505 | |
CIF file | Formula: - Cu K2 Se4 Ta - Comments: Lu, Y.-J.; Wu, P.; Ibers, J. A. Synthesis of the new one-dimensional quaternary compound K2CuTaSe4 and its structural relationship to other compounds in the K/Cu/M/Q (M = Nb, Ta; Q = S, Se) system European Journal of Solid State and Inorganic Chemistry 30 (1993) 101-110 Space group: F d d d :2 Cell volume: 1851 Cell parameters: 5.735; 13.481; 23.941; 90; 90; 90; |
COD ID: 4030801 | |
CIF file | Formula: - Cs0.64 I16 La9 N4 Na0.36 - Comments: Lulei, M.; Corbett, J. D. A new rare-earth-metal nitride halide with unusual structural features: CsxNa(1-x)La9I16N4 - with a remark about the stoichiometric compounds ALa9I16N4 (A = Na, Rb, Cs) European Journal of Solid State and Inorganic Chemistry 33 (1996) 241-250 Space group: F d d d :2 Cell volume: 8972 Cell parameters: 8.98; 22.91; 43.61; 90; 90; 90; |
COD ID: 4030899 | |
CIF file | Formula: - Cu Rb2 S4 V - Comments: Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W. Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4 European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187-1198 Space group: F d d d :2 Cell volume: 1699 Cell parameters: 5.448; 13.31; 23.431; 90; 90; 90; |
COD ID: 4030900 | |
CIF file | Formula: - Cu K2 Se4 V - Comments: Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W. Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4 European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187-1198 Space group: F d d d :2 Cell volume: 1752.9 Cell parameters: 5.6312; 13.264; 23.468; 90; 90; 90; |
COD ID: 4030901 | |
CIF file | Formula: - Cu Nb Rb2 S4 - Comments: Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W. Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4 European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187-1198 Space group: F d d d :2 Cell volume: 1799.5 Cell parameters: 5.5924; 13.498; 23.839; 90; 90; 90; |
COD ID: 4030902 | |
CIF file | Formula: - Cu Nb Rb2 Se4 - Comments: Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W. Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4 European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187-1198 Space group: F d d d :2 Cell volume: 1975.2 Cell parameters: 5.7796; 13.887; 24.609; 90; 90; 90; |
COD ID: 4030903 | |
CIF file | Formula: - Cs2 Cu Nb Se4 - Comments: Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W. Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4 European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187-1198 Space group: F d d d :2 Cell volume: 2137.1 Cell parameters: 5.8041; 14.486; 25.418; 90; 90; 90; |
COD ID: 4031777 | |
CIF file | Formula: - K7 O92 P2 W19 - Comments: Tourne, C.M.; Tourne, G.F. Aquanonadecatungstodiphosphate(14-) polyanion, (P2W19 O69(OH2))(14-): X-ray crystallographic structure of its potassium salt, chemical relationships and conversion Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1988 (1988) 2411-2420 Space group: F d d d :2 Cell volume: 35158.1 Cell parameters: 28.8; 38.143; 32.005; 90; 90; 90; |
COD ID: 4036946 | |
CIF file | Formula: - C22 H24 N2 O2 - Comments: Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles. The Journal of organic chemistry 81(16) (2016) 7172-7181 Space group: F d d d :2 Cell volume: 7574.2 Cell parameters: 14.4383; 16.5487; 31.6999; 90; 90; 90; |
COD ID: 4062373 | |
CIF file | Formula: - C37 H42 Cr4 N2 O20 Te2 - Comments: Shieh, Minghuey; Ho, Li-Fang; Guo, Yu-Wen; Lin, Shu-Fen; Lin, Yi-Chun; Peng, Shie-Ming; Liu, Yi-Hung Carbonylchromium Monotelluride Complexes [Et~4~N]~2~[Te{Cr(CO)~5~}~n~] (n = 2, 3): Two Important Intermediates Organometallics 22(24) (2003) 5020-5026 Space group: F d d d :2 Cell volume: 21477.7 Cell parameters: 11.7836; 35.3745; 51.5251; 90; 90; 90; |
COD ID: 4062488 | |
CIF file | Formula: - C74 H110 Cl Mg2 N2 O5 P2 Ti - Comments: Mokuolu, Q. Folashade; Duckmanton, Paul A.; Blake, Alexander J.; Wilson, Claire; Love, Jason B. Non-cyclopentadienyl Titanium(III)-Magnesium Hydride Formation by Reduction of an Amidotitanium(IV) Complex Organometallics 22(22) (2003) 4387-4389 Space group: F d d d :2 Cell volume: 30303 Cell parameters: 20.901; 28.919; 50.135; 90; 90; 90; |
COD ID: 4065855 | |
CIF file | Formula: - C23 H43 B Br F4 Fe N3 O3 P2 - Comments: Benito-Garagorri, David; Alves, Luis Gonçalo; Veiros, Luis F.; Standfest-Hauser, Christina M.; Tanaka, Shinji; Mereiter, Kurt; Kirchner, Karl Kinetically Controlled Formation of Octahedraltrans-Dicarbonyl Iron(II) PNP Pincer Complexes: The Decisive Role of Spin-State Changes§ Organometallics 29(21) (2010) 4932 Space group: F d d d :2 Cell volume: 12160 Cell parameters: 11.5251; 24.5644; 42.952; 90; 90; 90; |
COD ID: 4072193 | |
CIF file | Formula: - C56 H84 Li2 N4 O4 Zn - Comments: Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R. Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate Organometallics 27(22) (2008) 5860 Space group: F d d d :2 Cell volume: 11911.6 Cell parameters: 17.865; 24.3175; 27.4188; 90; 90; 90; |
COD ID: 4072194 | |
CIF file | Formula: - C62 H90 Li2 N2 O4 Zn - Comments: Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R. Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate Organometallics 27(22) (2008) 5860 Space group: F d d d :2 Cell volume: 12230 Cell parameters: 20.948; 20.964; 27.849; 90; 90; 90; |
COD ID: 4073255 | |
CIF file | Formula: - C57 H59 Cl3 N2 P4 Ru - Comments: Zhang, Hong; Feng, Li; Gong, Lei; Wu, Liqiong; He, Guomei; Wen, Tingbin; Yang, Fangzu; Xia, Haiping Synthesis and Characterization of Stable Ruthenabenzenes Starting from HC⋮CCH(OH)C⋮CH Organometallics 26(10) (2007) 2705 Space group: F d d d :2 Cell volume: 27478 Cell parameters: 24.495; 25.713; 43.627; 90; 90; 90; |
COD ID: 4074006 | |
CIF file | Formula: - C22 H24 O3 Si - Comments: Popp, Friedrich; Nätscher, Jennifer B.; Daiss, Jürgen O.; Burschka, Christian; Tacke, Reinhold The 2,4,6-Trimethoxyphenyl Unit as a Unique Protecting Group for Silicon in Synthesis and the Silylation Potential of (2,4,6-Trimethoxyphenyl)silanes Organometallics 26(24) (2007) 6014 Space group: F d d d :2 Cell volume: 15865 Cell parameters: 14.9422; 26.233; 40.473; 90; 90; 90; |
COD ID: 4074810 | |
CIF file | Formula: - C36 H56 Hf2 N2 - Comments: Bernskoetter, Wesley H.; Olmos, Andrea V.; Lobkovsky, Emil; Chirik, Paul J. N2Hydrogenation Promoted by a Side-On Bound Hafnocene Dinitrogen Complex Organometallics 25(4) (2006) 1021 Space group: F d d d :2 Cell volume: 13288.9 Cell parameters: 22.6682; 24.2123; 24.2123; 90; 90; 90; |
COD ID: 4075305 | |
CIF file | Formula: - C42 H74 B20 Cl Na O5 Y2 - Comments: Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes Organometallics 25(10) (2006) 2617 Space group: F d d d :2 Cell volume: 27699 Cell parameters: 17.4931; 34.2786; 46.1932; 90; 90; 90; |
COD ID: 4075306 | |
CIF file | Formula: - C42 H74 B20 Cl Er2 Na O5 - Comments: Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes Organometallics 25(10) (2006) 2617 Space group: F d d d :2 Cell volume: 28133 Cell parameters: 17.5472; 34.6509; 46.269; 90; 90; 90; |
COD ID: 4075459 | |
CIF file | Formula: - C26 H49 Fe2 N Si2 - Comments: Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2} Organometallics 25(13) (2006) 3111 Space group: F d d d :2 Cell volume: 11752 Cell parameters: 20.681; 22.191; 25.607; 90; 90; 90; |
COD ID: 4078838 | |
CIF file | Formula: - C26 H36 Au F6 N4 P - Comments: Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes Organometallics 31(16) (2012) 5875 Space group: F d d d :2 Cell volume: 5846.6 Cell parameters: 11.046; 18.097; 29.2476; 90; 90; 90; |
COD ID: 4078841 | |
CIF file | Formula: - C26 H36 Au Cl2 F6 N4 P - Comments: Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes Organometallics 31(16) (2012) 5875 Space group: F d d d :2 Cell volume: 5974.6 Cell parameters: 12.8544; 18.6376; 24.9384; 90; 90; 90; |
COD ID: 4079250 | |
CIF file | Formula: - C18 H24 Br2 N8 Pd S2 - Comments: Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R. Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands Organometallics 31(18) (2012) 6595 Space group: F d d d :2 Cell volume: 10795.2 Cell parameters: 8.2063; 35.516; 37.039; 90; 90; 90; |
COD ID: 4079261 | |
CIF file | Formula: - C50 H66 B Cu F4 N4 - Comments: Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes Organometallics 31(22) (2012) 7969 Space group: F d d d :2 Cell volume: 19178 Cell parameters: 24.371; 25.234; 31.185; 90; 90; 90; |
COD ID: 4079651 | |
CIF file | Formula: - C43.25 H38.5 Ag2 Au2 Cl2.5 F23 N O2 - Comments: Savjani, Nicky; Wilkinson, Luke A.; Hughes, David L.; Schormann, Mark; Bochmann, Manfred Synthesis, Structure, and Luminescent Behavior of Anionic Oligomeric and Polymeric Ag2Au2Clusters Organometallics 31(21) (2012) 7600 Space group: F d d d :2 Cell volume: 42087 Cell parameters: 21.737; 43.49; 44.52; 90; 90; 90; |
COD ID: 4084294 | |
CIF file | Formula: - C65 H55 N2 Ni P2 - Comments: Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination Organometallics 33(20) (2014) 5852 Space group: F d d d :2 Cell volume: 20100.1 Cell parameters: 18.726; 21.582; 49.735; 90; 90; 90; |
COD ID: 4088825 | |
CIF file | Formula: - C40 H48 Fe N4 - Comments: Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization Organometallics 35(17) (2016) 2923 Space group: F d d d :2 Cell volume: 6871 Cell parameters: 11.364; 24.534; 24.644; 90; 90; 90; |
COD ID: 4100865 | |
CIF file | Formula: - C96 H102 Cl4 F72 Ir4 O24 P12 - Comments: Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera Journal of the American Chemical Society (2005) Space group: F d d d :2 Cell volume: 28441 Cell parameters: 26.8372; 27.313; 38.801; 90; 90; 90; |
COD ID: 4103187 | |
CIF file | Formula: - C14 H7 Cu O5 - Comments: Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity Journal of the American Chemical Society 132 (2010) 13941-13948 Space group: F d d d :2 Cell volume: 27515 Cell parameters: 21.7064; 29.0072; 43.7; 90; 90; 90; |
COD ID: 4104301 | |
CIF file | Formula: - C72 H100 Ga6 N4 - Comments: Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity Journal of the American Chemical Society 131 (2009) 3168-3169 Space group: F d d d :2 Cell volume: 14730.5 Cell parameters: 19.6044; 22.9053; 32.804; 90; 90; 90; |
COD ID: 4108225 | |
CIF file | Formula: - C32 H49 Ir O P2 - Comments: Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir Journal of the American Chemical Society 130 (2008) 11317-11327 Space group: F d d d :2 Cell volume: 6077.7 Cell parameters: 12.933; 19.0074; 24.724; 90; 90; 90; |
COD ID: 4109877 | |
CIF file | Formula: - Au H54 K15 O95 P2 W18 - Comments: Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill Terminal Gold-Oxo Complexes Journal of the American Chemical Society 129 (2007) 11118-11133 Space group: F d d d :2 Cell volume: 34844 Cell parameters: 28.594; 31.866; 38.241; 90; 90; 90; |
COD ID: 4109880 | |
CIF file | Formula: - Au H57 K9 O93.5 P2 W18 - Comments: Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill Terminal Gold-Oxo Complexes Journal of the American Chemical Society 129 (2007) 11118-11133 Space group: F d d d :2 Cell volume: 34877 Cell parameters: 28.605; 31.857; 38.273; 90; 90; 90; |
COD ID: 4109881 | |
CIF file | Formula: - Au0.88 H20 K12.5 O80 P2 W18 - Comments: Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill Terminal Gold-Oxo Complexes Journal of the American Chemical Society 129 (2007) 11118-11133 Space group: F d d d :2 Cell volume: 35551 Cell parameters: 28.721; 31.61; 39.159; 90; 90; 90; |
COD ID: 4110532 | |
CIF file | Formula: - C258 H214 Cd32 Fe N6 S52 - Comments: Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture Journal of the American Chemical Society 128 (2006) 4528-4529 Space group: F d d d :2 Cell volume: 127750 Cell parameters: 46.374; 51.581; 53.407; 90; 90; 90; |
COD ID: 4111132 | |
CIF file | Formula: - C54 H36 Ag Fe N9 - Comments: Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design Journal of the American Chemical Society 128 (2006) 15255-15268 Space group: F d d d :2 Cell volume: 26774 Cell parameters: 24.601; 16.546; 65.775; 90; 90; 90; |
COD ID: 4112024 | |
CIF file | Formula: - C8 H25 Ag6 Cl N16 O7 - Comments: Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer Journal of the American Chemical Society 127 (2005) 14162-14163 Space group: F d d d :2 Cell volume: 5918.8 Cell parameters: 3.4099; 39.805; 43.607; 90; 90; 90; |
COD ID: 4112121 | |
CIF file | Formula: - C144 H88 As2 B12 N12 O24.8 - Comments: Tiejun Li; Satish S. Jalisatgi; Michael J. Bayer; Andreas Maderna; Saeed I. Khan; M. Frederick Hawthorne Organic Syntheses on an Icosahedral Borane Surface: Closomer Structures with Twelvefold Functionality Journal of the American Chemical Society 127 (2005) 17832-17841 Space group: F d d d :2 Cell volume: 54820 Cell parameters: 20.066; 40.221; 67.924; 90; 90; 90; |
COD ID: 4112836 | |
CIF file | Formula: - C30 H24 N10 Ni2 O12 - Comments: Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics Journal of the American Chemical Society 126 (2004) 9750-9759 Space group: F d d d :2 Cell volume: 7954 Cell parameters: 11.2657; 20.517; 34.413; 90; 90; 90; |
COD ID: 4114656 | |
CIF file | Formula: - C40 H50 Cl N4 O11 - Comments: Vladimir Sidorov; Frank W. Kotch; Galya Abdrakhmanova; Robert Mizani; James C. Fettinger; Jeffery T. Davis Ion Channel Formation from a Calix[4]arene Amide That Binds HCl Journal of the American Chemical Society 124 (2002) 2267-2278 Space group: F d d d :2 Cell volume: 15426.9 Cell parameters: 20.9026; 26.5756; 27.7713; 90; 90; 90; |
COD ID: 4115011 | |
CIF file | Formula: - C48 H144 Cl9 N24 O24 Ru4 - Comments: Victor C. Lau; Louise A. Berben; Jeffrey R. Long [(Cyclen)4Ru4(pz)4]9+: A Creutz-Taube Square Journal of the American Chemical Society 124 (2002) 9042-9043 Space group: F d d d :2 Cell volume: 18904 Cell parameters: 8.66; 38.787; 56.28; 90; 90; 90; |
COD ID: 4115232 | |
CIF file | Formula: - C84.5 H182 Cu5 In30 N13 S54 - Comments: Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng Pushing Up the Size Limit of Chalcogenide Supertetrahedral Clusters: Two- and Three-Dimensional Photoluminescent Open Frameworks from (Cu5In30S54)13- Clusters Journal of the American Chemical Society 124 (2002) 12646-12647 Space group: F d d d :2 Cell volume: 101030 Cell parameters: 43.266; 43.467; 53.721; 90; 90; 90; |
COD ID: 4115522 | |
CIF file | Formula: - C29 H24 N4 O9 - Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445 Space group: F d d d :2 Cell volume: 10642 Cell parameters: 24.365; 28.629; 15.257; 90; 90; 90; |
COD ID: 4116116 | |
CIF file | Formula: - C26 H22 Fe2 N4 O10 - Comments: Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals Journal of the American Chemical Society 122 (2000) 7503-7517 Space group: F d d d :2 Cell volume: 10740.9 Cell parameters: 17.904; 24.04; 24.955; 90; 90; 90; |
COD ID: 4116518 | |
CIF file | Formula: - C32 H48 O4 Si2 Zr - Comments: Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene Journal of the American Chemical Society 121 (1999) 8313-8323 Space group: F d d d :2 Cell volume: 14149 Cell parameters: 17.104; 17.173; 48.17; 90; 90; 90; |
COD ID: 4116922 | |
CIF file | Formula: - C60 H72 N8 Zn2 - Comments: Yongjun Zhang; Alison Thompson; Steven J. Rettig; David Dolphin The Use of Dipyrromethene Ligands in Supramolecular Chemistry Journal of the American Chemical Society 120 (1998) 13537-13538 Space group: F d d d :2 Cell volume: 10776.5 Cell parameters: 14.3337; 26.1271; 28.7758; 90; 90; 90; |
COD ID: 4117560 | |
CIF file | Formula: - C114 H112 Cl6 Lu N16 S8 - Comments: Mehmet Menaf Ayhan; Anu Singh; Catherine Hirel; Ayşe Gül Gürek; Vefa Ahsen; Erwann Jeanneau; Isabelle Ledoux-Rak; Joseph Zyss; Chantal Andraud; Yann Bretonnière ABAB Homoleptic Bis(phthalocyaninato)lutetium(III) Complex: Toward the Real Octupolar Cube and Giant Quadratic Hyperpolarizability Journal of the American Chemical Society 134 (2012) 3655-3658 Space group: F d d d :2 Cell volume: 21523 Cell parameters: 23.206; 29.202; 31.76; 90; 90; 90; |
COD ID: 4119907 | |
CIF file | Formula: - C773 H1132 Cd48 N48 Nd16 O362 - Comments: Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society 135 (2013) 8468-8471 Space group: F d d d :2 Cell volume: 277272 Cell parameters: 55.225; 62.596; 80.209; 90; 90; 90; |
COD ID: 4119908 | |
CIF file | Formula: - C749 H1035 Cd48 Gd16 N48 O336 - Comments: Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society 135 (2013) 8468-8471 Space group: F d d d :2 Cell volume: 275395 Cell parameters: 55.136; 62.366; 80.089; 90; 90; 90; |
COD ID: 4119909 | |
CIF file | Formula: - C778 H1159 Cd48 Er16 N48 O382 - Comments: Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society 135 (2013) 8468-8471 Space group: F d d d :2 Cell volume: 269243 Cell parameters: 54.829; 61.684; 79.609; 90; 90; 90; |
COD ID: 4119910 | |
CIF file | Formula: - C770 H1144 Cd48 N48 O360 Yb16 - Comments: Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society 135 (2013) 8468-8471 Space group: F d d d :2 Cell volume: 267161 Cell parameters: 54.549; 61.511; 79.622; 90; 90; 90; |
COD ID: 4121944 | |
CIF file | Formula: - C12 H6 O6 Sc - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6247 Cell parameters: 8.744; 20.762; 34.408; 90; 90; 90; |
COD ID: 4121945 | |
CIF file | Formula: - C25.125 H16.5 O13.125 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6268.1 Cell parameters: 8.7977; 20.7323; 34.3652; 90; 90; 90; |
COD ID: 4121946 | |
CIF file | Formula: - C28.875 H31.5 O16.875 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6075.6 Cell parameters: 8.7682; 20.4694; 33.851; 90; 90; 90; |
COD ID: 4121948 | |
CIF file | Formula: - C28.75 H31 O16.75 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6209.7 Cell parameters: 8.8244; 20.6223; 34.123; 90; 90; 90; |
COD ID: 4121950 | |
CIF file | Formula: - C12 H6 O6 Sc - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6230 Cell parameters: 8.7407; 20.7577; 34.3372; 90; 90; 90; |
COD ID: 4121951 | |
CIF file | Formula: - C28 H28 O16 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6276.9 Cell parameters: 8.8567; 20.693; 34.249; 90; 90; 90; |
COD ID: 4121952 | |
CIF file | Formula: - C12 H6 O6 Sc - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6207.4 Cell parameters: 8.7316; 20.7231; 34.3055; 90; 90; 90; |
COD ID: 4121953 | |
CIF file | Formula: - C28.875 H31.5 O16.875 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6280 Cell parameters: 8.8641; 20.698; 34.229; 90; 90; 90; |
COD ID: 4121957 | |
CIF file | Formula: - C24 H12 O12 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6238.2 Cell parameters: 8.7467; 20.7505; 34.3708; 90; 90; 90; |
COD ID: 4121958 | |
CIF file | Formula: - C29.25 H33 O17.25 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6185.1 Cell parameters: 8.8041; 20.625; 34.062; 90; 90; 90; |
COD ID: 4121962 | |
CIF file | Formula: - C29.125 H32.5 O17.125 Sc2 - Comments: Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. Journal of the American Chemical Society 136(24) (2014) 8606-8613 Space group: F d d d :2 Cell volume: 6259 Cell parameters: 8.851; 20.676; 34.203; 90; 90; 90; |
COD ID: 4124469 | |
CIF file | Formula: - C4 Fe K2 O4 - Comments: Teller, R.G.; Finke, R.G.; Bau, R.; Collman, J.P.; Chin, H.B. Dependence of the (Fe (C O)4)(2-) geometry on counterion: crystal structures of K2 Fe (C O)4 and (Na(Crypt))2(Fe (C O)4) (Crypt=N(CH2CH2OCH2CH2OCH2CH2)3N) Journal of the American Chemical Society 99 (1977) 1104-1111 Space group: F d d d :2 Cell volume: 1478 Cell parameters: 23.072; 11.557; 5.543; 90; 90; 90; |
COD ID: 4126701 | |
CIF file | Formula: - C148 H98 N4 O38 Ti4 - Comments: He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function. Journal of the American Chemical Society (2017) Space group: F d d d :2 Cell volume: 80203 Cell parameters: 38.4922; 41.1905; 50.5849; 90; 90; 90; |
COD ID: 4130841 | |
CIF file | Formula: - C48.5 H73 As3 N6 Si3 - Comments: Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred Pnictogen-Silicon Analogues of Benzene. Journal of the American Chemical Society 138(33) (2016) 10433-10436 Space group: F d d d :2 Cell volume: 21902.5 Cell parameters: 21.5579; 21.7446; 46.7236; 90; 90; 90; |
COD ID: 4131598 | |
CIF file | Formula: - C44 H35 N1.5 - Comments: Lu, Xuefeng; Lee, Sangsu; Hong, Yongseok; Phan, Hoa; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Tanaka, Takayuki; Sandoval-Salinas, María Eugenia; Zeng, Wangdong; Ding, Jun; Casanova, David; Osuka, Atsuhiro; Kim, Dongho; Wu, Jishan Fluorenyl Based Macrocyclic Polyradicaloids. Journal of the American Chemical Society 139(37) (2017) 13173-13183 Space group: F d d d :2 Cell volume: 34761 Cell parameters: 21.096; 36.965; 44.576; 90; 90; 90; |
COD ID: 4131678 | |
CIF file | Formula: - C73 H81 Cl2 N4 Ru2 - Comments: Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E. Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event. Journal of the American Chemical Society 139(46) (2017) 16446-16449 Space group: F d d d :2 Cell volume: 25031.4 Cell parameters: 11.4339; 40.051; 54.661; 90; 90; 90; |
COD ID: 4132090 | |
CIF file | Formula: - C177.96 H221.9 N43.99 O40 P2 - Comments: Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society 140(15) (2018) 5248-5256 Space group: F d d d :2 Cell volume: 98208 Cell parameters: 24.088; 60.3283; 67.581; 90; 90; 90; |
COD ID: 4133182 | |
CIF file | Formula: - C46 H56 Br N4 Ni - Comments: Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions. Journal of the American Chemical Society 140(42) (2018) 13575-13579 Space group: F d d d :2 Cell volume: 8484.3 Cell parameters: 15.0781; 19.0103; 29.5991; 90; 90; 90; |
COD ID: 4133667 | |
CIF file | Formula: - C14 H8 N0 O8 Zn2 - Comments: Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn. Journal of the American Chemical Society 141(25) (2019) 9808-9812 Space group: F d d d :2 Cell volume: 22392 Cell parameters: 11.987; 39.23; 47.618; 90; 90; 90; |
COD ID: 4133673 | |
CIF file | Formula: - C34 H25 N12 S2 - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 30196.2 Cell parameters: 20.2514; 35.0504; 42.5407; 90; 90; 90; |
COD ID: 4133674 | |
CIF file | Formula: - C29 H27 N12 S - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 29574.4 Cell parameters: 20.144; 34.7052; 42.3035; 90; 90; 90; |
COD ID: 4133675 | |
CIF file | Formula: - C61 H58 N24 S2 - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 29310.5 Cell parameters: 19.9929; 34.6322; 42.3319; 90; 90; 90; |
COD ID: 4133676 | |
CIF file | Formula: - C33 H26 N12 S2 - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 31617.7 Cell parameters: 21.0124; 35.3974; 42.5092; 90; 90; 90; |
COD ID: 4133677 | |
CIF file | Formula: - C30 H25 N12 - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 31254.2 Cell parameters: 20.8296; 35.3105; 42.4936; 90; 90; 90; |
COD ID: 4133678 | |
CIF file | Formula: - C62 H68 N24 - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 30796 Cell parameters: 20.5062; 35.21; 42.652; 90; 90; 90; |
COD ID: 4133679 | |
CIF file | Formula: - C58 H68 N24 - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 30560.8 Cell parameters: 20.6068; 35.009; 42.3618; 90; 90; 90; |
COD ID: 4133680 | |
CIF file | Formula: - C30 H34 N12 S - Comments: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society 141(27) (2019) 10915-10923 Space group: F d d d :2 Cell volume: 28505 Cell parameters: 19.6681; 34.306; 42.246; 90; 90; 90; |
COD ID: 4300086 | |
CIF file | Formula: - C20 H40 Cu4 N6 Se4 W - Comments: Qian-Feng Zhang; Wa-Hung Leung; Xin; Hoong-Kun Fun Heterometallic Polymeric Clusters Containing Tetraselenotungstate Anion: One-Dimensional Helical Chain {[La(Me2SO)8][(μ-WSe4)3Ag3]}n and Cyanide-Bridged Three-Dimensional Cross-Framework {[Et4N]2[(μ4-WSe4)Cu4(CN)4]}n Inorganic Chemistry 39 (2000) 417-426 Space group: F d d d :2 Cell volume: 6153 Cell parameters: 11.09; 23.206; 23.91; 90; 90; 90; |
COD ID: 4301444 | |
CIF file | Formula: - C16 H16 Cl2 Cu2 N6 - Comments: Man-Cheng Hu; Yan Wang; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Yong Zhang Synthesis, Crystal Structures, and Photoluminescent Properties of the Cu(I)/X/α,ω-Bis(benzotriazole)alkane Hybrid Family (X = Cl, Br, I, and CN) Inorganic Chemistry 48 (2009) 1449-1468 Space group: F d d d :2 Cell volume: 15315 Cell parameters: 20.84; 25.57; 28.74; 90; 90; 90; |
COD ID: 4301903 | |
CIF file | Formula: - C106 H106 Co9 N74 O41 - Comments: Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly Inorganic Chemistry 48 (2009) 3323-3341 Space group: F d d d :2 Cell volume: 61157 Cell parameters: 39.369; 39.416; 39.411; 90; 90; 90; |
COD ID: 4303239 | |
CIF file | Formula: - C112 H68 N12 O8 Zn4 - Comments: Jennifer M. Verduzco; Haemi Chung; Chunhua Hu; Wonyoung Choe Metal-Organic Framework Assembled from T-Shaped and Octahedral Nodes: A Mixed-Linker Strategy To Create a Rare Anatase TiO2 Topology Inorganic Chemistry 48 (2009) 9060-9062 Space group: F d d d :2 Cell volume: 58359 Cell parameters: 31.8557; 34.817; 52.617; 90; 90; 90; |
COD ID: 4303340 | |
CIF file | Formula: - C54 H72 Ag F6 N4 Sb - Comments: David V. Partyka; Nihal Deligonul Phosphine- and Carbene-Ligated Silver Acetate: Easily-Accessed Synthons for Reactions with Silylated Nucleophiles Inorganic Chemistry 48 (2009) 9463-9475 Space group: F d d d :2 Cell volume: 20473 Cell parameters: 21.4951; 25.6925; 37.072; 90; 90; 90; |
COD ID: 4304490 | |
CIF file | Formula: - Ga4 La Na Se8 - Comments: Amitava Choudhury; Peter K. Dorhout Synthesis, Structure, and Optical Properties of the Quaternary Seleno-gallates NaLnGa4Se8 (Ln= La, Ce, Nd) and Their Comparison with the Isostructural Thio-gallates Inorganic Chemistry 47 (2008) 3603-3609 Space group: F d d d :2 Cell volume: 5706.9 Cell parameters: 21.1979; 21.1625; 12.7216; 90; 90; 90; |
COD ID: 4304491 | |
CIF file | Formula: - Ce Ga4 Na Se8 - Comments: Amitava Choudhury; Peter K. Dorhout Synthesis, Structure, and Optical Properties of the Quaternary Seleno-gallates NaLnGa4Se8 (Ln= La, Ce, Nd) and Their Comparison with the Isostructural Thio-gallates Inorganic Chemistry 47 (2008) 3603-3609 Space group: F d d d :2 Cell volume: 5681.1 Cell parameters: 21.1416; 21.138; 12.7125; 90; 90; 90; |
COD ID: 4304492 | |
CIF file | Formula: - Ga4 Na Nd Se8 - Comments: Amitava Choudhury; Peter K. Dorhout Synthesis, Structure, and Optical Properties of the Quaternary Seleno-gallates NaLnGa4Se8 (Ln= La, Ce, Nd) and Their Comparison with the Isostructural Thio-gallates Inorganic Chemistry 47 (2008) 3603-3609 Space group: F d d d :2 Cell volume: 5620.8 Cell parameters: 21.015; 21.045; 12.7093; 90; 90; 90; |
COD ID: 4304501 | |
CIF file | Formula: - Au4 K Sn6 - Comments: Bin Li; John D. Corbett Similar K@Au10Sn10 Polyhedra in the Markedly Different Structures of KAu4Sn6 and KAu3Sn3. Syntheses and Characterization Inorganic Chemistry 47 (2008) 3610-3616 Space group: F d d d :2 Cell volume: 2109.8 Cell parameters: 8.7094; 10.028; 24.157; 90; 90; 90; |
COD ID: 4305443 | |
CIF file | Formula: - C28 H16 Au2 N8 Pb - Comments: Michael J. Katz; Vladimir K. Michaelis; Pedro M. Aguilar; Renante Yson; Haiyan Lu; Harini Kaluarachchi; Raymond J. Batchelor; Georg Schreckenbach; Scott Kroeker; Howard H. Patterson; Daniel B. Leznoff Structural and Spectroscopic Impact of Tuning the Stereochemical Activity of the Lone Pair in Lead(II) Cyanoaurate Coordination Polymers via Ancillary Ligands Inorganic Chemistry 47 (2008) 6353-6363 Space group: F d d d :2 Cell volume: 5278.1 Cell parameters: 6.9317; 20.885; 36.459; 90; 90; 90; |
COD ID: 4305447 | |
CIF file | Formula: - C32 H76 Cl4 Li4 O4 P4 - Comments: Bhaskar Reddy Aluri; Markus K. Kindermann; Peter G. Jones; Ina Dix; Joachim Heinicke Bulky N-Substituted 1,3-Benzazaphospholes: Access via Pd-Catalyzed C-N and C-P Cross Coupling, Lithiation, and Conversion to Novel P=C-PtBu2 Hybrid Ligands Inorganic Chemistry 47 (2008) 6900-6912 Space group: F d d d :2 Cell volume: 9669.1 Cell parameters: 13.7123; 26.3955; 26.7143; 90; 90; 90; |
COD ID: 4306507 | |
CIF file | Formula: - C16 H26 Cl2 N2 O2 Zn - Comments: Bi-Xue Zhu; Qi-Long Zhang; Yun-Qian Zhang; Tao Zhu; Jack K. Clegg; Leonard F. Lindoy; Gang Wei Four Zinc(II) Helical Coordination Polymers and 78-Membered Six-Node Zinc Metallacycle Assembled from Diastereopure N,N'-Bis(acetylacetone)cyclohexanediimine Inorganic Chemistry 47 (2008) 10053-10061 Space group: F d d d :2 Cell volume: 7756 Cell parameters: 16.181; 17.327; 27.663; 90; 90; 90; |
COD ID: 4306734 | |
CIF file | Formula: - C84 H68 Mn N2 P4 S4 - Comments: Chia-Huei Lin; Chien-Ge Chen; Ming-Li Tsai; Gene-Hsiang Lee; Wen-Feng Liaw Monoanionic {Mn(NO)}5 and Dianionic {Mn(NO)}6 Thiolatonitrosylmanganese Complexes: [(NO)Mn(L)2]- and [(NO)Mn(L)2]2- (LH2= 1,2-Benzenedithiol and Toluene-3,4-dithiol) Inorganic Chemistry 47 (2008) 11435-11443 Space group: F d d d :2 Cell volume: 14145.3 Cell parameters: 14.9431; 27.2374; 34.754; 90; 90; 90; |
COD ID: 4307216 | |
CIF file | Formula: - C4 H20 F N4 Nb O17 P4 Zn3 - Comments: Guang-Zhen Liu; Shou-Tian Zheng; Guo-Yu Yang Two Organically Templated Niobium and Zinconiobium Fluorophosphates: Low Temperature Hydrothermal Syntheses of NbOF(PO4)2(C2H10N2)2 and Zn3(NbOF)(PO4)4(C2H10N2)2 Inorganic Chemistry 46 (2007) 231-237 Space group: F d d d :2 Cell volume: 4218.66 Cell parameters: 9.1928; 14.209; 32.2971; 90; 90; 90; |
COD ID: 4307298 | |
CIF file | Formula: - C10 H20 Eu2 O20 - Comments: Wen-Hua Zhu; Zhe-Ming Wang; Song Gao Two 3D Porous Lanthanide-Fumarate-Oxalate Frameworks Exhibiting Framework Dynamics and Luminescent Change upon Reversible De- and Rehydration Inorganic Chemistry 46 (2007) 1337-1342 Space group: F d d d :2 Cell volume: 4106.44 Cell parameters: 9.6976; 15.4428; 27.4205; 90; 90; 90; |
COD ID: 4307299 | |
CIF file | Formula: - C10 H20 O20 Tb2 - Comments: Wen-Hua Zhu; Zhe-Ming Wang; Song Gao Two 3D Porous Lanthanide-Fumarate-Oxalate Frameworks Exhibiting Framework Dynamics and Luminescent Change upon Reversible De- and Rehydration Inorganic Chemistry 46 (2007) 1337-1342 Space group: F d d d :2 Cell volume: 4060.18 Cell parameters: 9.6648; 15.4844; 27.1305; 90; 90; 90; |
COD ID: 4307740 | |
CIF file | Formula: - C10 H12 Co N8 O - Comments: Morsy A. M. Abu-Youssef; Franz A. Mautner; Ramon Vicente 1D and 2D End-to-End Azide-Bridged Cobalt(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties Inorganic Chemistry 46 (2007) 4654-4659 Space group: F d d d :2 Cell volume: 5228 Cell parameters: 10.642; 16.477; 29.817; 90; 90; 90; |
COD ID: 4307768 | |
CIF file | Formula: - C112 H108 B4 Cl4 Fe4 N52 Ni4 O28 - Comments: Zhi-Guo Gu; Wei Liu; Qiao-Fang Yang; Xin-Hui Zhou; Jing-Lin Zuo; Xiao-Zeng You Cyano-Bridged FeIII2CuII3 and FeIII4NiII4 Complexes: Syntheses, Structures, and Magnetic Properties Inorganic Chemistry 46 (2007) 3236-3244 Space group: F d d d :2 Cell volume: 29996 Cell parameters: 18.6771; 30.5524; 52.567; 90; 90; 90; |
COD ID: 4308017 | |
CIF file | Formula: - C16 H42 Cl10 O4 Te2 - Comments: Jens Beckmann; Stephan Heitz; Malte Hesse Four Distinctively Different Decomposition Pathways of Metastable Supermesityltellurium(IV) Trichloride Inorganic Chemistry 46 (2007) 3275-3282 Space group: F d d d :2 Cell volume: 7070 Cell parameters: 8.763; 25.607; 31.505; 90; 90; 90; |
COD ID: 4310605 | |
CIF file | Formula: - C96 H144 Cl8 N32 O36 Zr6 - Comments: A. Otero; J. Fernández-Baeza; A. Antiñolo; J. Tejeda; A. Lara-Sánchez; L. Sánchez-Barba; M. Fernández-López; I. López-Solera New Complexes of Zirconium(IV) and Hafnium(IV) with Heteroscorpionate Ligands and the Hydrolysis of Such Complexes To Give a Zirconium Cluster# Inorganic Chemistry 43 (2004) 1350-1358 Space group: F d d d :2 Cell volume: 35494 Cell parameters: 21.947; 28.636; 56.476; 90; 90; 90; |
COD ID: 4310712 | |
CIF file | Formula: - C64 H52 Cu5 N8 O18 - Comments: Hong Zhao; Zhi-Rong Qu; Qiong Ye; Xi-Sen Wang; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You An Unusual Mixed-Valence Cu(I)-Cu(II) 3-D Framework Inorganic Chemistry 43 (2004) 1813-1815 Space group: F d d d :2 Cell volume: 14701 Cell parameters: 15.913; 21.616; 42.739; 90; 90; 90; |
COD ID: 4312303 | |
CIF file | Formula: - C60 H44 Cu2 F12 N12 P2 - Comments: Elvira C. Riesgo; Yi-Zhen Hu; Randolph P. Thummel Cu(I) Complexes of 3,3'-Polymethylene Bridged Derivatives of 2,2'-Bi-1,10-Phenanthroline Inorganic Chemistry 42 (2003) 6648-6654 Space group: F d d d :2 Cell volume: 11523.3 Cell parameters: 19.9779; 22.2432; 25.9316; 90; 90; 90; |
COD ID: 4313096 | |
CIF file | Formula: - C28 H57 Ag0.5 N8.5 O3 S7 W2 - Comments: Wenjian Zhang; Xintao Wu; Biao Wu; Shuyan Yu; Gabriella Santoni; Dieter Rehder Double-Stranded W/Ag/S Chain Structure Generated from [syn-{WO(NCS)2}2(μ-S)2] Building Blocks Inorganic Chemistry 42 (2003) 1130-1134 Space group: F d d d :2 Cell volume: 17616 Cell parameters: 12.2321; 24.965; 57.688; 90; 90; 90; |
COD ID: 4314210 | |
CIF file | Formula: - C8 H28 Ca Cl2 O12 - Comments: Limin Yang; Yunlan Su; Yizhuang Xu; Zheming Wang; Zonghui Guo; Shifu Weng; Chunhua Yan; Shiwei Zhang; Jinguang Wu Interactions between Metal Ions and Carbohydrates. Coordination Behavior of Neutral Erythritol to Ca(II) and Lanthanide Ions Inorganic Chemistry 42 (2003) 5844-5856 Space group: F d d d :2 Cell volume: 3977.72 Cell parameters: 11.6282; 15.3443; 22.2933; 90; 90; 90; |
COD ID: 4314288 | |
CIF file | Formula: - C52 H36 Cl8 N8 V2 - Comments: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Xiaoping Wang New Chemistry of the Triply Bonded Divanadium (V24+) Unit and Reduction to an Unprecedented V23+ Core Inorganic Chemistry 42 (2003) 6063-6070 Space group: F d d d :2 Cell volume: 21586 Cell parameters: 26.5959; 27.2378; 29.7981; 90; 90; 90; |
COD ID: 4314674 | |
CIF file | Formula: - C84 H72 Cu2 F12 N8 O16 S4 - Comments: Valeria Amendola; Massimo Boiocchi; Valentina Brega; Luigi Fabbrizzi; Lorenzo Mosca Octahedral Copper(II) and Tetrahedral Copper(I) Double-Strand Helicates: Chiral Self-Recognition and Redox Behavior Inorganic Chemistry 49 (2010) 997-1007 Space group: F d d d :2 Cell volume: 33777 Cell parameters: 25.9858; 34.018; 38.21; 90; 90; 90; |
COD ID: 4315182 | |
CIF file | Formula: - C H0 As0.5 F N O2 U0.5 - Comments: V. Koteswara Rao; K. Bharathi; Ramanath Prabhu; Manabendra Chandra; Srinivasan Natarajan Two- and Three-Dimensional Open-Framework Uranium Arsenates: Synthesis, Structure, and Characterization Inorganic Chemistry 49 (2010) 2931-2947 Space group: F d d d :2 Cell volume: 2473.2 Cell parameters: 7.2852; 15.6714; 21.663; 90; 90; 90; |
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