Crystallography Open Database
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Searching space group like 'P 1 21/m 1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000139 | CIF | Ba F5 Ga H4 O2 | P 1 21/m 1 | 10.0626; 5.807; 4.9788 90; 103.359; 90 | 283.1 | Jouanneaux, A; Le Bail, A Structure of Ba Ga F5 . 2(H2 O) from conventional and synchrotron powder diffraction data European Journal of Solid State Inorganic Chemistry, 1997, 34, 925-936 |
1000146 | CIF | Al3 F12 Na Rb2 | P 1 21/m 1 | 12.046; 6.984; 7.093 90; 125.04; 90 | 488.6 | Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J. Structure determination of A2 Na Al3 F12 (A= K, Rb) Materials Research Bulletin, 1990, 25, 831-839 |
1000147 | CIF | Al3 F12 K2 Na | P 1 21/m 1 | 11.882; 6.983; 6.942 90; 125.59; 90 | 670.8 | Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J. Structure determination of A2 Na Al3 F12 (A= K, Rb) Materials Research Bulletin, 1990, 25, 831-839 |
1000208 | CIF | Al F4 K | P 1 21/m 1 | 7.3403; 7.237; 6.407 90; 106.801; 90 | 325.8 | Launay, J M; Bulou, A; Hewat, A W; Gibaud, A; Laval, J Y; Nouet, J Shear transformation in the layered compound K Al F~4~: low temperature phase structure and transformation mechanism Journal de Physique (Paris), 1985, 46, 771-782 |
1000253 | CIF | Cu3 H2 O9 V2 | P 1 21/m 1 | 7.444; 6.658; 7.759 90; 93.57; 90 | 383.8 | Leblanc, M; Ferey, G Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu~3~ V~2~ O~8~ (H~2~ O) and Cu V~2~ O~6~ (H2 O)2 Acta Crystallographica C (39,1983-), 1990, 46, 15-18 |
1000255 | CIF | O8 Tl V3 | P 1 21/m 1 | 7.78; 8.423; 4.993 90; 96.48; 90 | 325.1 | Benchrifa, R; Leblanc, M; De Pape, R Structure of the trivanadate Tl V~3~ O~8~ Acta Crystallographica C (39,1983-), 1990, 46, 177-179 |
1000320 | CIF | C3 Ba2 Ce F O9 | P 1 21/m 1 | 13.365; 5.097; 6.638 90; 106.45; 90 | 433.7 | Mercier, N; Leblanc, M Crystal growth and structures of rare earth fluorocarbonates: I. Structures of BaSm(CO~3~)~2~F and Ba~3~La~2~(CO~3~)~5~F~2~: revision of the corresponding huanghoite and cebaite type structures European Journal of Solid State Inorganic Chemistry, 1993, 30, 195-205 |
1000389 | CIF | Ba2 Cl F7 Zn2 | P 1 21/m 1 | 7.7; 5.801; 8.939 90; 106.85; 90 | 382.1 | Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+)) Journal of Solid State Chemistry, 1995, 115, 98-111 |
1000390 | CIF | Ba2 Cl Co2 F7 | P 1 21/m 1 | 7.692; 5.783; 8.945 90; 106.88; 90 | 380.8 | Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+)) Journal of Solid State Chemistry, 1995, 115, 98-111 |
1000391 | CIF | Ba2 Cl F7 Mn Ni | P 1 21/m 1 | 7.766; 5.844; 8.932 90; 106.64; 90 | 388.4 | Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+)) Journal of Solid State Chemistry, 1995, 115, 98-111 |
1000447 | CIF | Ba2 Cl F7 Ni2 | P 1 21/m 1 | 7.602; 5.766; 8.788 90; 106.72; 90 | 368.9 | Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) Journal of Solid State Chemistry, 1997, 131, 198-214 |
1000448 | CIF | Ba2 Cl F7 Mn Ni | P 1 21/m 1 | 7.746; 5.82; 8.898 90; 106.63; 90 | 384.4 | Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) Journal of Solid State Chemistry, 1997, 131, 198-214 |
1000449 | CIF | Ba2 Cl Co F7 Fe | P 1 21/m 1 | 7.749; 5.771; 8.95 90; 106.8; 90 | 383.2 | Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) Journal of Solid State Chemistry, 1997, 131, 198-214 |
1000477 | CIF | C3 Ba2 Ce F O9 | P 1 21/m 1 | 13.365; 5.097; 6.638 90; 106.45; 90 | 433.7 | Mercier, N; Leblanc, M Crystal growth and structures of rare earth fluorocarbonates: II. Structures of zhonghuacerite Ba2 Ce (C O3)3 F. Correlations between huanghoite, cebaite and zhonghuacerite type structures European Journal of Solid State Inorganic Chemistry, 1993, 30, 207-216 |
1000478 | CIF | Al F5 H2 K2 O | P 1 21/m 1 | 6.133; 7.475; 6.142 90; 97.17; 90 | 279.4 | de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5 Journal of Fluorine Chemistry, 1996, 77, 39-44 |
1001233 | CIF | K0.4 O16 P2 W4 | P 1 21/m 1 | 6.6702; 5.3228; 8.9091 90; 100.546; 90 | 311 | Giroult, J P; Goreaud, M; Labbe, P; Raveau, B K~x~ P~2~ W~2~ O~16~: A Bronze with a Tunnel Structure Built up from P O~4~ Tetrahedra and W O~6~ Octahedra Journal of Solid State Chemistry, 1982, 44, 407-414 |
1001530 | CIF | O4 P Ti | P 1 21/m 1 | 4.7598; 6.3493; 17.7599 90; 97.39; 90 | 532.3 | Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B TiPO~4~, a titanium orthophosphate with a CrVO~4~ sublattice European Journal of Solid State Inorganic Chemistry, 1991, 28, 1323-1333 |
1001598 | CIF | Ag Mo3 O14 P2 | P 1 21/m 1 | 8.174; 6.392; 10.55 90; 111.66; 90 | 512.3 | Borel, M M; Guesdon, A; Leclaire, A; Grandin, A; Raveau, B New mixed-valent molybdenum monophosphates with the KMo~3~P~2~O~14~ structure Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 569-573 |
1001599 | CIF | Mo3 O14 P2 Sr | P 1 21/m 1 | 8.288; 6.43; 10.648 90; 112.83; 90 | 523 | Borel, M M; Guesdon, A; Leclaire, A; Grandin, A; Raveau, B New mixed-valent molybdenum monophosphates with the KMo~3~P~2~O~14~ structure Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 569-573 |
1001620 | CIF | K Mo3 O14 P2 | P 1 21/m 1 | 8.599; 6.392; 10.602 90; 111.65; 90 | 541.6 | Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B A mixed-valent molybdenum monophosphate with a layer structure: KMo~3~P~2~O~14~ Journal of Solid State Chemistry, 1994, 109, 145-151 |
1001715 | CIF | Mo1.17 Na0.75 O11 P2 W0.83 | P 1 21/m 1 | 7.2; 6.369; 9.123 90; 106.29; 90 | 401.6 | Leclaire, A; Borel, M M; Chardon, J; Raveau, B A mixed-valent molybdenotungsten monophosphate with a tunnel structure : Nax (Mo, W)2 O3 (P O4)2 Journal of Solid State Chemistry, 1995, 120, 353-357 |
1001739 | CIF | Ca0.3 Mn Nd0.7 O3 | P 1 21/m 1 | 5.4881; 7.6337; 5.3968 90; 90.2; 90 | 226.1 | Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry, 1996, 127, 131-135 |
1001754 | CIF | Li0.5 Mo O11 P2 W | P 1 21/m 1 | 7.735; 12.655; 8.324 90; 105.97; 90 | 783.4 | Leclaire, A; Borel, M M; Chardon, J; Raveau, B Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten monophosphate Li0.5 Mo W O3 (P O4)2 Materials Research Bulletin, 1996, 31, 1257-1262 |
1001804 | CIF | Mo1.04 O11 P2 W0.96 | P 1 21/m 1 | 7.827; 12.538; 7.833 90; 92.36; 90 | 768 | Leclaire, A; Borel, M M; Chardon, J; Raveau, B The molybdenotungsten monophosphate Mo W O3 (P O4)2 : an original three- dimensional framework built up of "M P O8" chains (M = Mo, W) Journal of Solid State Chemistry, 1997, 128, 191-196 |
1001833 | CIF | H3 Mo O7 P | P 1 21/m 1 | 6.758; 6.339; 7.054 90; 110.13; 90 | 283.7 | Biot, C; Leclaire, A; Borel, M M; Raveau, B Revised crystal structure of molybdenum hydroxymonophosphate, (Mo O2) . (H2 O) . (P (O3 O H)) Zeitschrift fuer Kristallographie (149,1979-), 1997, 212, 792-794 |
1004024 | CIF | F4 H8 N2 O Ti | P 1 21/m 1 | 6.3245; 7.5422; 11.0095 90; 90.12; 90 | 525.2 | Patarin, J; Marcuccilli-Hoffner, F; Kessler, H; Daniels, P Synthesis and structure determination of (N H4)2 Ti F4 O European Journal of Solid State Inorganic Chemistry, 1994, 31, 501-511 |
1004116 | CIF | Ba2 O9 V3 | P 1 21/m 1 | 9.302; 5.969; 8.118 90; 113.96; 90 | 411.9 | Dhaussy, A-C; Abraham, F; Mentre, O; Steinfink, H Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV) vanadate containing rutile-like chains of V O6 octahedra Journal of Solid State Chemistry, 1996, 126, 328-335 |
1004148 | CIF | O5 Pb0.304 V2 | P 1 21/m 1 | 15.478; 7.288; 10.123 90; 109.29; 90 | 1077.8 | Mentre, O; Huve, M; Abraham, F Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes Journal of Solid State Chemistry, 1999, 145, 186-196 |
1004152 | CIF | Bi9 Cl O18 V2 | P 1 21/m 1 | 11.671; 5.463; 14.792 90; 93.67; 90 | 941.2 | Mentre, O; Abraham, F Synthesis, crystal structure, infrared characterization, and electrical properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1) Journal of Solid State Chemistry, 1998, 136, 34-45 |
1005007 | CIF | Fe1.25 Ta Te3 | P 1 21/m 1 | 7.436; 3.638; 10.008 90; 109.17; 90 | 255.7 | Badding, M E; Li, J; DiSalvo, F J; Zhou, W; Edwards, P P Characterization of TaFe~1.25~Te~3~, a new layered telluride with an unusual metal network structure Journal of Solid State Chemistry, 1992, 100, 313-324 |
1005027 | CIF | Ge2 N2 Sr3 | P 1 21/m 1 | 9.032; 3.883; 9.648 90; 112.42; 90 | 312.8 | Clarke, S J; Kowach, G R; DiSalvo, F J Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2 Inorganic Chemistry, 1996, 35, 7009-7012 |
1005031 | CIF | Ba3 Ge2 N2 | P 1 21/m 1 | 9.6196; 4.0466; 10.1337 90; 113.553; 90 | 361.6 | Yamane, H; DiSalvo, F J A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-) and (Ge N2)(4-) anions Journal of Alloys Compd., 1996, 241, 69-74 |
1005040 | CIF | Ba2 Ga Ge N | P 1 21/m 1 | 7.249; 4.21; 9.314 90; 108.87; 90 | 269 | Clarke, S J; DiSalvo, F J Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7 Journal of Alloys Compd., 1997, 259, 158-162 |
1005041 | CIF | Ba2.35 Ge2 N2 Sr0.65 | P 1 21/m 1 | 9.5109; 4.0201; 10.0412 90; 113.06; 90 | 353.2 | Clarke, S J; DiSalvo, F J Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7 Journal of Alloys Compd., 1997, 259, 158-162 |
1005057 | CIF | Ca3 N3 V | P 1 21/m 1 | 6.717; 5.064; 6.72 90; 78.88; 90 | 224.3 | Vennos, D A; DiSalvo, F J Synthesis and characterization of a new ternary nitride, Ca3 V N3 Journal of Solid State Chemistry, 1992, 98, 318-322 |
1007035 | CIF | C Ag2 O3 | P 1 21/m 1 | 4.852; 9.553; 3.255 90; 91.96; 90 | 150.8 | Masse, R; Guitel, J C; Durif, A Structure du carbonate d'argent Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1428-1429 |
1007140 | CIF | Cs4 H11 O18 P3 Te | P 1 21/m 1 | 9.591; 13.163; 8.367 90; 106.27; 90 | 1014 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Crystal structures of two cesium phosphate-tellurates: (Te(O H)~6~) (Cs~2~ H P O~4~) and (Te(O H)~6~) (Cs~2~ H P O~4~) (Cs H~2~ P O~4~)~2~ Materials Research Bulletin, 1980, 15, 387-395 |
1007149 | CIF | Bi O4 P | P 1 21/m 1 | 4.871; 7.073; 4.709 90; 96.24; 90 | 161.3 | Masse, R; Durif, A Etude structurale de la forme haute temperature du monophosphate de bismuth Bi P O~4~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993), 1985, 300, 849-851 |
1008952 | CIF | Nb Se3 | P 1 21/m 1 | 9.974; 3.476; 15.592 90; 109.4; 90 | 509.9 | van Smaalen, S; de Boer, J L; Meetsma, A; Graafsma, H; Sheu, H-S; Darovskikh, A; Coppens, P; Levy, F Determination of the structural distortions corresponding to the q1- and q2- -type modulations in niobium triselenide Nb Se3 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1992, 45, 3103-3106 |
1009037 | CIF | Nb Se3 | P 1 21/m 1 | 10.009; 3.4805; 15.629 90; 109.47; 90 | 513.3 | Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and electron diffraction studies Journal of Physics C, 1978, 11, 4117-4134 |
1009061 | CIF | Nb Se3 | P 1 21/m 1 | 9.984; 3.4831; 15.591 90; 109.47; 90 | 511.2 | Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P Charge density waves in Nb Se3 at 145 K: Crystal structures X-Ray and electron diffraction studies Journal of Physics C, 1978, 11, 4117-4134 |
1010524 | CIF | K2 O5 S2 | P 1 21/m 1 | 6.95; 6.19; 7.55 90; 102.68; 90 | 316.9 | Zachariasen, W H The Crystal Lattice of Potassium Pyrosulphite,K~2~ S~2~ O~5~ and the Structure of the Pyrosulphite Group Physical Review (1,1893-132,1963/141,1966-188,1969), 1932, 40, 923-935 |
1010744 | CIF | As4 Pb3 S9 | P 1 21/m 1 | 22.69; 8.29; 7.86 90; 96.75; 90 | 1468.2 | Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series, 1940, 44, 47-69 |
1010754 | CIF | As14 Pb27 S48 | P 1 21/m 1 | 8.89; 31.65; 8.4 90; 118.35; 90 | 2080 | Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series, 1940, 44, 47-69 |
1010811 | CIF | Br3 Cu K | P 1 21/m 1 | 4.28; 14.43; 9.68 90; 108.38; 90 | 567.3 | Silberstein, A Etude cristallographique du bromure double de cuivre et de potassium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1939, 209, 540-542 |
1100194 | CIF | C23 H23 N O2 | P 1 21/m 1 | 8.3847; 6.8914; 14.8257 90; 98.28; 90 | 847.734 | K.Harms; M.Marsch Private Communication, 2000 |
1100782 | CIF | C113 H146 Ag4 Cl2 N12 | P 1 21/m 1 | 14.866; 28.12; 17.752 90; 118.873; 90 | 6498 | Chizu Shimokawa; Shinobu Itoh The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex Inorganic Chemistry, 2005, 44, 3010-3012 |
1100910 | CIF | Bi0.4 Fe3 O13 P3 | P 1 21/m 1 | 7.496; 6.308; 10.125 90; 100.11; 90 | 471.32 | Benabad, Aicha; Bakhous, Karima; Cherkaoui, Fatima; Holt, Elizabeth M. Bismuth(V) iron(III) tris(phosphate) oxide Acta Crystallographica, Section C, 2000, 56, 1292-1293 |
1100936 | CIF | C7 H16 N P Si | P 1 21/m 1 | 7.285; 10.067; 8.103 90; 112.21; 90 | 550.2 | Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide Inorganic Chemistry, 2005, 44, 3080-3086 |
1500010 | CIF | C4 H18 Co N7 O8 | P 1 21/m 1 | 6.1926; 18.248; 6.2335 90; 90.078; 90 | 704.41 | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure, 2006, 784, 222-227 |
1501685 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.2039; 5.99673; 4.5435 90; 93.8032; 90 | 223.032 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501686 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.20987; 5.99729; 4.54601 90; 93.8491; 90 | 223.327 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501687 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.21673; 5.99825; 4.54871 90; 93.8929; 90 | 223.67 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501688 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.22307; 5.99899; 4.55113 90; 93.9367; 90 | 223.978 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501689 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.22913; 5.99941; 4.55352 90; 93.9808; 90 | 224.265 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501690 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.23546; 5.99997; 4.55596 90; 94.0251; 90 | 224.566 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501691 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.24185; 6.00052; 4.55819 90; 94.071; 90 | 224.858 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501692 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.24909; 6.00107; 4.56111 90; 94.1234; 90 | 225.206 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501693 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.25578; 6.00157; 4.56351 90; 94.1741; 90 | 225.511 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501694 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.26299; 6.00194; 4.56608 90; 94.2299; 90 | 225.833 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501695 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.26972; 6.00243; 4.56867 90; 94.2836; 90 | 226.148 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1502040 | CIF | C23 H19 I N2 O2 | P 1 21/m 1 | 11.998; 6.7769; 11.9999 90; 93.718; 90 | 973.65 | Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties. Organic letters, 2011, 13, 1658-1661 |
1502320 | CIF | C20 H12 Cl N O2 | P 1 21/m 1 | 8.265; 6.753; 14.254 90; 103.68; 90 | 773 | Fei, Na; Yin, Hao; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun CuCl2-promoted 6-endo-dig chlorocyclization and oxidative aromatization cascade: efficient construction of 1-azaanthraquinones from N-propargylaminoquinones. Organic letters, 2011, 13, 4208-4211 |
1504158 | CIF | C34 H56 N12 O17 | P 1 21/m 1 | 10.4708; 19.8848; 10.7309 90; 116.395; 90 | 2001.36 | Stancl, Marek; Hodan, Martin; Sindelar, Vladimir Glycoluril trimers: selective synthesis and supramolecular properties. Organic letters, 2009, 11, 4184-4187 |
1504526 | CIF | C42 H30 Cl2 N3 O P | P 1 21/m 1 | 8.6044; 15.398; 13.408 90; 106.679; 90 | 1701.7 | Matano, Yoshihiro; Nakashima, Makoto; Nakabuchi, Takashi; Imahori, Hiroshi; Fujishige, Shinya; Nakano, Haruyuki Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring. Organic letters, 2008, 10, 553-556 |
1505174 | CIF | C13 H16 N4 O4 | P 1 21/m 1 | 8.7478; 6.5361; 12.5842 90; 107.296; 90 | 686.98 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505747 | CIF | C89 H8 Sc3 | P 1 21/m 1 | 18.1948; 11.14953; 11.13725 90; 107.733; 90 | 2151.99 | Nishibori, Eiji; Terauchi, Ikuya; Sakata, Makoto; Takata, Masaki; Ito, Yasuhiro; Sugai, Toshiki; Shinohara, Hisanori High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction. The journal of physical chemistry. B, 2006, 110, 19215-19219 |
1505888 | CIF | C15 H9 N O6 | P 1 21/m 1 | 7.4374; 8.0243; 11.3999 90; 92.67; 90 | 679.61 | Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N. Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds. Organic letters, 2006, 8, 1201-1204 |
1506077 | CIF | C13 H15 N O4 | P 1 21/m 1 | 6.3417; 20.5313; 9.4744 90; 96.329; 90 | 1226.08 | Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes. Organic letters, 2006, 8, 2619-2622 |
1506343 | CIF | C3 H1.5 Cl1.5 O1.5 | P 1 21/m 1 | 7.88; 6.795; 8.835 90; 115.02; 90 | 428.67 | Gong, Huijuan; You, Zhen; Xian, Qiming; Shen, Xing; Zou, Huixian; Huan, Fei; Xu, X. Study on the Structure and Mutagenicity of a New Disinfection Byproduct in Chlorinated Drinking Water Environmental Science & Technology, 2005, 39, 7499 |
1506535 | CIF | C18 H14 I2 N4 O2 | P 1 21/m 1 | 4.517; 26.92; 8.586 90; 93.546; 90 | 1042 | Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W. Designed cocrystals based on the pyridine-iodoalkyne halogen bond. Organic letters, 2005, 7, 1891-1893 |
1508699 | CIF | C15 H23 N O3 | P 1 21/m 1 | 8.025; 9.9052; 8.9614 90; 92.41; 90 | 711.7 | Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides. Organic letters, 2012, 14, 5322-5325 |
1509109 | CIF | Ag0.4 Bi0.39 Cu4.93 Pb0.61 Se4 | P 1 21/m 1 | 9.5341; 4.1004; 10.2545 90; 100.066; 90 | 394.715 | Cooper, M.A.; Hawthorne, F.C.; Criddle, A.J.; Tischendorf, G.; Laflamme, J.H.G.; Stanley, C.J.; Foerster, H.J.; Roberts, A.C. Schlemaite, (Cu, vac)6 (Pb, Bi) Se4, a new mineral species from Niederschlema-Alberoda, Erzgebirge, Germany: description and crystal structure Canadian Mineralogist, 2003, 41, 1433-1444 |
1509147 | CIF | Ag Bi2 Cl Se3 | P 1 21/m 1 | 7.9738; 4.1067; 11.135 90; 104.17; 90 | 353.533 | Ruck, M. Synthese und Kristallstrukturen der quaternaeren Chalkogenidchloride Ag Bi2 S3 Cl und Ag Bi2 Se3 Cl Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1537-1540 |
1509246 | CIF | Ag Bi2 Cl S3 | P 1 21/m 1 | 7.765; 3.999; 10.829 90; 103.18; 90 | 327.407 | Ruck, M. Synthese und Kristallstrukturen der quaternaeren Chalkogenidchloride Ag Bi2 S3 Cl und Ag Bi2 Se3 Cl Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1537-1540 |
1509249 | CIF | C12 H28 Cl K O8 | P 1 21/m 1 | 9.782; 14.983; 12.1152 90; 92.886; 90 | 1773.4 | Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan Transmembrane anion transport mediated by halogen-bond donors. Nature Communications, 2012, 3, 905 |
1509288 | CIF | Ag Cs5 O9 Si3 | P 1 21/m 1 | 9.682; 6.527; 11.626 90; 93.84; 90 | 733.049 | Amann, P.; Moeller, A. Neue Cyclosilicate der Alkalielemente: Cs5 Ag Si3 O9 und Cs6 Na6 Si6 O18 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 172-179 |
1509464 | CIF | Ag Mn6 O24 P7 | P 1 21/m 1 | 5.424; 26.97; 6.627 90; 106.81; 90 | 928.008 | ElMaadi, A.; Bennazha, J.; Holt, E.M.; Boukhari, A. Identification of a new family of phosphate compounds, A(I) B(II)6 (P2 O7)2 P3 O10: structures of K Mn6 (P2 O7)2 P3 O10 and Ag Mn6 (P2 O7)2 P3 O10 Solid State Sciences, 2001, 3, 587-592 |
1509584 | CIF | Ag1.2 O8 V3 | P 1 21/m 1 | 7.382; 3.6029; 12.193 90; 107.39; 90 | 309.47 | Rozier, P.; Galy, J. Ag1.2 V3 O8 crystal structure: relationship with Ag2 V4 O11-y and interpretation of physical properties Journal of Solid State Chemistry, 1997, 134, 294-301 |
1509926 | CIF | Ag3 Bi14 Br21 | P 1 21/m 1 | 12.7778; 14.6687; 13.4262 90; 108.48; 90 | 2386.76 | Wahl, B.; Ruck, M. Ag3 Bi14 Br21: a subbromide with Bi2(4+) dumbbells and Bi9(5+) polyhedra - synthesis, crystal structure and chemical bonding Zeitschrift fuer Anorganische und Allgemeine Chemie, 2008, 634, 2873-2879 |
1509978 | CIF | Ag8 Ba S5 | P 1 21/m 1 | 7.672; 17.66599; 8.937 90; 107.89; 90 | 1152.7 | Chong Zheng; Dabrowski, B.; Check, C.E.; Zhang Jianhua Synthesis and structure of a new ternary silver-rich sulfide Ba Ag8 S5 Journal of Solid State Chemistry, 1999, 144, 409-415 |
1510031 | CIF | Ag3 P7 Sn | P 1 21/m 1 | 6.36; 11.071; 6.518 90; 108.17; 90 | 436.058 | Shevel'kov, A.V.; Popovkin, B.A.; Shatruk, M.M.; Kovnir, K.A. Ag3 Sn P7: A polyphosphide with a unique infinite(P7) chain and a novel Ag3 Sn heterocluster Angew. Chem. Int. ed., 2000, 39, 2508-2509 |
1510098 | CIF | Au Co Na4 O5 | P 1 21/m 1 | 5.5569; 10.4211; 5.5569 90; 117.387; 90 | 285.728 | Hoppe, R.; Mader, K. Neuartige Maeander mit Co3+ und Au3+: Na4(AuCoO5) = Na8((O2/2(CoO)O2AuO2/2)2) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 612, 89-96 |
1510308 | CIF | Au Sr | P 1 21/m 1 | 40.13; 4.697; 6.192 90; 94.21; 90 | 1163.98 | Fornasini, M.L. New alkaline earth equiatomic phases: Sr Au and Ba Au Journal of Solid State Chemistry, 1985, 59, 60-64 |
1510667 | CIF | B2 Ba2 Cl Ho O6 | P 1 21/m 1 | 6.432; 5.312; 11.286 90; 96.03; 90 | 383.473 | Khamaganova, T.N.; Nevskii, N.N.; Trunov, V.K. Crystal structures of Ba2 TR (B O3)2 Cl (TR= Ho, Yb) Kristallografiya, 1989, 34, 1422-1425 |
1510677 | CIF | B2 Ba2 Cl O6 Yb | P 1 21/m 1 | 6.397; 5.279; 11.222 90; 96.17; 90 | 376.769 | Trunov, V.K.; Nevskii, N.N.; Khamaganova, T.N. Crystal structures of Ba2 TR (B O3)2 Cl (TR= Ho, Yb) Kristallografiya, 1989, 34, 1422-1425 |
1510906 | CIF | B3 Er Mo | P 1 21/m 1 | 6.79; 3.1513; 5.396 90; 101.6; 90 | 113.102 | Kuz'ma, Yu.B.; Aksel'rud, L.G.; Chaban, N.F. Crystal structure of Er Mo B3 Kristallografiya, 1989, 34, 1419-1421 |
1510928 | CIF | B3 Li2 O13 Yb5 | P 1 21/m 1 | 10.095; 3.519; 15.647 90; 105.45; 90 | 535.762 | Chaminade, J.P.; Fouassier, C.; Jubera, V.; Gravereau, P. A new oxyborate in the ternary phase diagrams Li2 O-Ln2 O3-B2 O3: Li2 Ln5 O4 (B O3)3 (Ln = Yb, Lu): Crystal structure of the ytterbium phase Journal of Solid State Chemistry, 2001, 156, 161-167 |
1511027 | CIF | B Ce O3 | P 1 21/m 1 | 6.3022; 5.0593; 4.1311 90; 107.528; 90 | 125.603 | Montardi, Y.; Jobic, S.; Goubin, F.; Rocquefelte, X.; Deniard, P.; Brec, R. Optical properties of Ce B O3 and Ce B3 O6 compounds: first- principles calculations and experimental results Journal of Solid State Chemistry, 2004, 177, 89-100 |
1511186 | CIF | B I N2 Sr2 | P 1 21/m 1 | 10.284; 4.224; 13.246 90; 90.87; 90 | 575.335 | Rohrer, F.E.; Nesper, R. Sr2 B N2 I: a strontium iodide compound with isolated B N2(3-) units Journal of Solid State Chemistry, 1999, 142, 187-191 |
1511323 | CIF | B S3 Tl3 | P 1 21/m 1 | 5.444; 9.699; 6.69 90; 98.13; 90 | 349.691 | Hamann, W.; Krebs, B. Ortho-Thioborates and Ortho-Selenoborates: Synthesis, Structure and Properties of Tl3 B S3 and Tl3 B Se3 Journal of the Less-Common Metals, 1988, 137, 143-154 |
1511327 | CIF | B Se3 Tl3 | P 1 21/m 1 | 5.547; 10.099; 6.852 90; 97.59; 90 | 380.48 | Hamann, W.; Krebs, B. Ortho-thioborates and ortho-selenoborates: synthesis, structure and properties of Tl3 B S3 and Tl3 B Se3 Journal of the Less-Common Metals, 1988, 137, 143-154 |
1511784 | CIF | C8 H8 B F2 Li N2 O4 | P 1 21/m 1 | 6.1948; 15.6492; 6.2164 90; 113.897; 90 | 550.98 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511791 | CIF | C6 H6 B F2 Li O7 | P 1 21/m 1 | 6.443; 6.2831; 12.1294 90; 97.91; 90 | 486.35 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511921 | CIF | C19 H19 F3 N2 O3 S | P 1 21/m 1 | 9.4896; 9.4513; 10.805 90; 108.172; 90 | 920.8 | Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides. Organic letters, 2013, 15, 1922-1925 |
1512133 | CIF | C17 H18 F3 N O2 | P 1 21/m 1 | 12.365; 7.358; 16.939 90; 95.378; 90 | 1534.4 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
1512155 | CIF | C17 H16 O5 | P 1 21/m 1 | 9.9253; 6.9102; 10.7273 90; 110.711; 90 | 688.19 | Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford Bioactive Compounds from the Roots of Strophioblachia fimbricalyx. Journal of natural products, 2013, 76, 1358-1364 |
1512335 | CIF | C13 H9 Br F3 N | P 1 21/m 1 | 7.731; 7.195; 10.886 90; 104.56; 90 | 586.1 | Wang, Yong; Chen, Chao; Zhang, Shu; Lou, Zhenbang; Su, Xiang; Wen, Lirong; Li, Ming A Concise Construction of Polycyclic Quinolines via Annulation of ω-Cyano-1-alkynes with Diaryliodonium Salts Organic Letters, 2013, 15, 4794 |
1512474 | CIF | C30 H24 Cu3 Mo5 N12 O30 P2 | P 1 21/m 1 | 9.985; 23.899; 10.574 90; 103.997; 90 | 2448.4 | Xiang Wang; Dandan Wang; Mingguan Liu; Cuili Meng; Aixiang Tian; Kundawlet Alimaje; Zhenyu Shi Two polyoxomolybdate-tuned hybrids composed of tripodal star-like ligand copper complexes Inorganica Chimica Acta, 2012, 392, 160-164 |
1512977 | CIF | C32 H29 N3 O9 Zn2 | P 1 21/m 1 | 8.458; 21.6474; 9.4309 90; 109.884; 90 | 1623.8 | De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks Inorganica Chimica Acta, 2013, 396, 84-91 |
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