Crystallography Open Database

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1509799 CIFAg2 F2 Nb2 O5I m a 27.42; 7.68; 10.46
90; 90; 90
596.069Chaminade, J.P.; Vlasse, M.; Saux, M.; Pouchard, M.
La structure cristalline de l'oxyfluorure d'argent et de niobium Ag2 Nb2 O5 F2
Revue de Chimie Minerale, 1977, 14, 429-434
1510732 CIFB2 K12.5 Mo13 Na0.5 O147 W24I m a 229.665; 39.688; 13.9573
90; 90; 90
16432.6Leclerc-Laronze, N.; Cadot, E.; Thouvenot, R.; Marrot, J.
Structural link between giant molybdenum oxide based ions and derived Keggin structure: modular assemblies based on the [B W11 O39](9-) ion and pentagonal {M' M5} units (M' = W and M = Mo, W)
Angew. Chem. Int. ed., 2009, 48, 4986-4989
1519035 CIFBa Na2 Si4I m a 29.524; 17.98; 8.57
90; 90; 90
1467.5Huang, B.; Corbett, J. D.
Synthesis and structure of the Zintl compounds Na2BaTt4 (Tt = Si, Ge)
Solid State Sciences, 1999, 1, 555-565
1521023 CIFBa2 In2 O5I m a 216.7191; 6.0833; 5.9563
90; 90; 90
605.799Fischer, W.; Reck, G.; Schober, T.
Structural transformation of the oxygen and proton conductor Ba2 In2 O5 in humid air: an in-situ X-ray powder diffraction study
Solid State Ionics, 1999, 116, 211-215
1523929 CIFRu Si TiI m a 27.0352; 11.192; 6.4734
90; 90; 90
509.702Johnson, V.; Jeitschko, W.
Ternary equiatomic transition metal silicides and germanides
Journal of Solid State Chemistry, 1972, 4, 123-130
1525541 CIFGa Mn O5 Sr2I m a 216.1239; 5.5626; 5.40262
90; 90; 90
484.565Abakumov, A.M.; Rozova, M.G.; Lobanov, M.V.; Pavlyuk, B.P.; Ovtchenkov, E.A.; Vasil'ev, A.N.; Lebedev, O.I.; Antipov, E.V.; Ignatchik, O.L.; van Tendeloo, G.; Koksharov, Yu.A.
Synthesis, crystal structure and magnetic properties of a novel layered manganese oxide Sr2 Mn Ga O5+d
Journal of Solid State Chemistry, 2001, 160, 353-361
1528661 CIFCo O2.5 SrI m a 215.7782; 5.5739; 5.47
90; 90; 90
481.065de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T.
Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study
Solid State Sciences, 2008, 10, 1924-1935
1529962 CIFNb2 O17 Zr6I m a 240.92; 4.93; 5.27
90; 90; 90
1063.15Galy, J.; Roth, R.S.
The crystal structure of Nb2 Zr6 O17
Journal of Solid State Chemistry, 1973, 7, 277-285
1531100 CIFCo Cu2 O7 Sr2 YI m a 25.4089; 5.4515; 22.7987
90; 90; 90
672.257Awana, V.P.S.; Malik, S.K.; Yelon, W.B.; Karppinen, M.; Yamauchi, H.
Triple perovskite Co Sr2 Y Cu2 O7-d and its peculiar structural features: a neutron diffraction study
Physica C (Amsterdam), 2002, 378, 155-159
1533470 CIFGa Mn O5 Sr2I m a 216.1898; 5.5126; 5.3713
90; 90; 90
479.377Sheptyakov, D.V.; Pomjakushin, V.Yu.; Abakumov, A.M.; Balagurov, A.M.; Antipov, E.V.; Fischer, P.; Billinge, S.J.L.; Lobanov, M.V.; Rozova, M.G.; Keller, L.; Pavlyuk, B.P.
Crystal and magnetic structures of new layered oxides A2 Ga Mn O5+y(A = Ca, Sr)
Appl. Phys. A, 2002, 74, S1734-S1736
1533548 CIFCu2 Ga O6.99 Sr2 YI m a 222.8043; 5.3954; 5.4834
90; 90; 90
674.668Awana, V.P.S.; Takayama-Muromachi, E.; Malik, S.K.; Krishnamurty, V.V.; Karppinen, M.; Yelon, W.B.; Yamauchi, H.
Cation intermixing and ordering phenomenon in M-O layer of M Sr2 Y Cu2 Oz (M-1212) compounds with M = Fe, Co, Al and Ga: a neutron powder diffraction study
Journal of Applied Physics, 2003, 93, 8221-8223
1533552 CIFAl Cu2 O7.053 Sr2 YI m a 222.1998; 5.4649; 5.46338
90; 90; 90
662.816Awana, V.P.S.; Takayama-Muromachi, E.; Malik, S.K.; Yelon, W.B.; Karppinen, M.; Krishnamurty, V.V.; Yamauchi, H.
Cation intermixing and ordering phenomenon in M-O layer of M Sr2 Y Cu2 Oz (M-1212) compounds with M = Fe, Co, Al and Ga: a neutron powder diffraction study
Journal of Applied Physics, 2003, 93, 8221-8223
1533556 CIFCo Cu2 O7 Sr2 YI m a 222.7987; 5.4515; 5.4089
90; 90; 90
672.257Awana, V.P.S.; Yelon, W.B.; Takayama-Muromachi, E.; Malik, S.K.; Karppinen, M.; Yamauchi, H.; Krishnamurty, V.V.
Cation intermixing and ordering phenomenon in M-O layer of M Sr2 Y Cu2 Oz (M-1212) compounds with M = Fe, Co, Al and Ga: a neutron powder diffraction study
Journal of Applied Physics, 2003, 93, 8221-8223
1534040 CIFGa Mn O5 Sr2I m a 216.1971; 5.5257; 5.3863
90; 90; 90
482.076Pomjakushin, V.Yu.; Rozova, M.G.; Balagurov, A.M.; Abakumov, A.M.; Elzhov, T.V.; Yushankhai, V.Yu.; Sheptyakov, D.V.; Khomskii, D.I.; Fischer, P.; Antipov, E.V.; Lobanov, M.V.; Billinge, S.J.L.
Atomic and magnetic structures, disorder effects and unconventional superexchange interactions in A2 Mn Ga O5+d (A= Sr, Ca) oxides of layered brownmillerite-type structure
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 184412-1-184412-13
1535919 CIFO7 Pb2 Sb2I m a 27.484; 7.857; 10.426
90; 90; 90
613.067Ivanov, S.A.; Zavodnik, V.E.
Crystal structure of lead antimonate Pb2 Sb2 O7
Kristallografiya, 1990, 35, 842-846
1535989 CIFGe Mn RhI m a 27.12; 11.34; 6.559
90; 90; 90
529.579Venturini, G.; Malaman, B.; Steinmetz, J.; Roques, B.; Courtois, A.
Distribution des atomes metalliques dans les structures apparentees des trois composes ternaires equiatomiques: Rh Mn Si, isotype de Co2 P, Rh Mn Ge, isotype de Ti Fe Si et Pd Mn Ge, isotype de Fe2 P
Materials Research Bulletin, 1982, 17, 259-267
1546394 CIFC12 H13 B F3 N4I m a 27.7462; 16.7938; 10.8073
90; 90; 90
1405.9Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik
Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates
Chem. Sci., 2017
1554617 CIFC17 H20 B10 I2I m a 213.801; 25.643; 6.8626
90; 90; 90
2428.7Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario
Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.
Biomaterials science, 2019, 7, 5324-5337
1561328 CIFC14 H12 Cd O7I m a 230.703; 7.8834; 5.8115
90; 90; 90
1406.6Singh, Suryabhan; Bhim, Anupam
Water linked 3D coordination polymers: Syntheses, structures and applications
Journal of Solid State Chemistry, 2016, 244, 151-159
1561623 CIFCe2 Cu S5 SbI m a 213.373; 7.519; 7.519
90; 90; 90
756.05Kussainova, Ardak M.; Akselrud, Lev G.; Suen, Nian-Tzu; Voss, Leonard; Stoyko, Stanislav; Bobev, Svilen
Synthesis, crystal and electronic structure of the quaternary sulfides Ln2CuMS5 (Ln=La, Ce; M=Sb, Bi)
Journal of Solid State Chemistry, 2016, 233, 269-276
2000978 CIF
Paper
C6 H8 N Na O5I m a 26.892; 19.692; 6.439
90; 90; 90
873.9Minemoto, H.; Sonoda, N.; Miki, K.
Structure of sodium <i>p</i>-nitrophenolate dihydrate
Acta Crystallographica Section C, 1992, 48, 737-738
2002695 CIFCa Cu Ga La O5I m a 215.8467; 5.5077; 5.3188
90; 90; 90
464.2Luzikova, A V; Kharlanov, A L; Antipov, E V; Mueller-Buschbaum, Hk
On the crystal structure of La Ca Cu Ga O5
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 326-328
2004359 CIF
Paper
C12 H14 O SiI m a 27.1006; 16.88; 10.1754
90; 90; 90
1219.6Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.
Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde
Acta Crystallographica Section C, 1996, 52, 259-262
2012041 CIF
HKL
Paper
C2 H8 Br2 N2 ZnI m a 219.27; 7.2111; 10.025
90; 90; 90
1393.1Pritchard, Robin G.; Eaton, Nicola; McDonald, Stephen; Strickland, Phillip
<i>catena</i>-Poly[dibromozinc(II)-μ-ethylenediamine-<i>N</i>:<i>N</i>']: resolution of structural anomalies resulting from the interpretation of vibrational spectra
Acta Crystallographica Section C, 2001, 57, 672-673
2014162 CIF
HKL
Paper
C10 H8 N2 O5I m a 26.302; 9.076; 17.531
90; 90; 90
1002.7Uçar, İbrahim; Bulut, Ahmet; Yes̨ilel, Okan Zafer; Büyükgüngör, Orhan
Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate
Acta Crystallographica Section C, 2004, 60, o585-o588
2018660 CIF
Paper
C11 H12 Au2 Cl8 N2I m a 215.61545; 17.6525; 7.563
90; 90; 90
2084.75Al-Ktaifani, Mahmoud; Rukiah, Mwaffak
1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction
Acta Crystallographica Section C, 2012, 68, m246-m250
2102337 CIF
Paper
C9 H7 I3 S2I m a 28.882; 24.565; 6.387
90; 90; 90
1393.56Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2102348 CIF
Paper
C57 H38 Cl2 N6 O2 ZnI m a 228.639; 12.548; 12.355
90; 90; 90
4439.92Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2106923 CIFFe Si TiI m a 26.997; 10.83; 6.287
90; 90; 90
476.413Jeitschko, W.
The crystal structure of Ti Fe Si and related compounds
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 815-822
2214143 CIF
HKL
Paper
C13 H19 N2 Ni O10.5I m a 216.3724; 7.1673; 14.1857
90; 90; 90
1664.63Aghabozorg, Hossein; Bahrami, Zohreh; Tabatabaie, Masoumeh; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar
Poly[propane-1,3-diammonium [diaquatetrakis(μ~4~-benzene-1,2,4,5-tetracarboxylato)nickelate(II)] hemihydrate]
Acta Crystallographica Section E, 2007, 63, m2022-m2023
2216082 CIF
HKL
Paper
C13 H19 Co N2 O10.5I m a 216.4011; 7.1786; 14.2586
90; 90; 90
1678.76Aghabozorg, Hossein; Attar Gharamaleki, Jafar; Motyeian, Elham; Ghadermazi, Mohammad
Poly[propane-1,3-diammonium [diaqua(μ~4~-4-benzene-1,2,4,5-tetracarboxylato)cobaltate(II)] hemihydrate]
Acta Crystallographica Section E, 2007, 63, m2793-m2794
2230799 CIF
HKL
Paper
Ag2 Co3 H O12 P3I m a 212.9814; 6.5948; 10.7062
90; 90; 90
916.55Assani, Abderrazzak; El Ammari, Lahcen; Zriouil, Mohammed; Saadi, Mohamed
Disilver(I) tricobalt(II) hydrogenphosphate bis(phosphate), Ag~2~Co~3~(HPO~4~)(PO~4~)~2~
Acta Crystallographica Section E, 2011, 67, i41
2230843 CIF
HKL
Paper
Ag2 H Ni3 O12 P3I m a 212.9233; 6.5678; 10.6629
90; 90; 90
905.04Assani, Abderrazzak; El Ammari, Lahcen; Zriouil, Mohammed; Saadi, Mohamed
Disilver(I) trinickel(II) hydrogenphosphate bis(phosphate), Ag~2~Ni~3~(HPO~4~)(PO~4~)~2~
Acta Crystallographica Section E, 2011, 67, i40
4000171 CIFH0 I3 N O13 V2I m a 214.099; 10.2138; 8.051
90; 90; 90
1159.4Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.
Chemistry of Materials, 2002
4000172 CIFI3 O13 Rb V2I m a 214.1212; 10.2392; 8.03
90; 90; 90
1161.06Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.
Chemistry of Materials, 2002
4000173 CIFCs I3 O13 V2I m a 214.181; 10.3178; 8.0756
90; 90; 90
1181.6Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.
Chemistry of Materials, 2002
4000762 CIFC11.16 H8 Cu F0.33 N5 O3I m a 27.185; 9.1854; 21.544
90; 90; 90
1421.8Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul
Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks
Chemistry of Materials, 2011, 23, 2908
4002515 CIFAl0.763 Ca2 Co1.237 O5I m a 214.7117; 5.515; 5.2813
90; 90; 90
428.498Lambert, S.; Leligny, H.; Grebille, D.; Pelloquin, D.; Raveau, B.
Modulated distribution of differently ordered tetrahedral chains inthe brownmillerite structure
Chemistry of Materials (1,1989-), 2002, 14, 1818-1826
4003058 CIFCd0.98 Nb O3.45I m a 27.320662; 10.370384; 7.330492
90; 90; 90
556.517Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.
Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx
Chemistry of Materials, 2019, 31, 7626
4003695 CIFGa3 La2 O7.5I m a 211.4701; 11.2676; 10.4804
90; 90; 90
1354.49Fan, Jintai; Sarou-Kanian, Vincent; Yang, Xiaoyan; Diaz-Lopez, Maria; Fayon, Franck; Kuang, Xiaojun; Pitcher, Michael J.; Allix, Mathieu
La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt
Chemistry of Materials, 2020, 32, 9016-9025
4063983 CIFC20 H32 S2 TiI m a 229.5495; 16.3542; 8.1155
90; 90; 90
3921.9Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel
Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes
Organometallics, 2011, 30, 1034
4071010 CIFC16 H4 Ag14 N10 O30 S2I m a 228.477; 22.881; 12.4585
90; 90; 90
8117.7Zhao, Liang; Chen, Xu-Dong; Mak, Thomas C. W.
Silver(I)−Ethynide Supramolecular Synthons in the Assembly of π−π Stacked Infinite Columns⊥
Organometallics, 2008, 27, 2483
4079446 CIFC19 H29 I N4 PdI m a 214.2427; 12.4519; 11.2446
90; 90; 90
1994.2Tang, Fengzhi; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.
Detection of Pd(III) and Pd(IV) Intermediates during the Aerobic Oxidative C–C Bond Formation from a Pd(II) Dimethyl Complex
Organometallics, 2012, 31, 6690
4079859 CIFC25 H18 F6 N3 P PtI m a 26.8422; 24.1071; 15.0351
90; 90; 90
2480Chen, Yong; Lu, Wei; Che, Chi-Ming
Luminescent Pincer-Type Cyclometalated Platinum(II) Complexes with Auxiliary Isocyanide Ligands: Phase-Transfer Preparation, Solvatomorphism, and Self-Aggregation
Organometallics, 2013, 32, 350
4085869 CIFC20 H28 Au2 F12 N8 O3 P2I m a 213.346; 15.9879; 16.7956
90; 90; 90
3583.75Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.
Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study
Organometallics, 2015, 150128111349001
4103897 CIFC2 H5 NI m a 29.142; 6.37; 5.889
90; 90; 90
342.9Roland Boese; Dieter Bläser; Georg Jansen
Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal
Journal of the American Chemical Society, 2009, 131, 2104-2106
4103898 CIFC2 H5 NI m a 29.142; 6.37; 5.889
90; 90; 90
342.9Roland Boese; Dieter Bläser; Georg Jansen
Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal
Journal of the American Chemical Society, 2009, 131, 2104-2106
4105915 CIFI3 K O13 V2I m a 214.136; 10.201; 8.0638
90; 90; 90
1162.8Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao
Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System
Journal of the American Chemical Society, 2011, 133, 5561-5572
4106480 CIFC24 H24 Cl Ir N2 O2I m a 216.8925; 17.2396; 7.5829
90; 90; 90
2208.29Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn
Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks
Journal of the American Chemical Society, 2011, 133, 11496-11499
4130016 CIFC8 H10 Cu N6 O7I m a 213.6081; 9.9487; 9.4287
90; 90; 90
1276.48Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero
Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.
Journal of the American Chemical Society, 2016, 138, 2280-2291

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