Crystallography Open Database

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1001842 CIFK4 Nb6 O17P 21 n b7.83; 33.20999; 6.46
90; 90; 90
1679.8Gasperin, M; le Bihan, M T
Mecanisme d'hydratation des niobates alcalins lamellaires de formule A4 Nb4 O17 (A=K,Rb,Cs)
Journal of Solid State Chemistry, 1982, 43, 346-353
1508502 CIFIn Li S2P 21 n b6.474; 6.887; 8.05
90; 90; 90
358.92Kish, Z.Z.; Kanishcheva, A.S.; Mikhailov, Yu.N.; Lazarev, V.B.; Semrad, E.E.; Peresh, E.Yu.
Synthesis and crystal stucture of lithium thioindate
Doklady Akademii Nauk SSSR, 1985, 280, 398-401
1521952 CIFH4 Li N O4 SP 21 n b5.276; 8.768; 9.122
90; 90; 90
421.983Solans, X.; Mata, J.; Calvet, M.T.; Font-Bardia, M.
X-ray structural characterization, Raman and thermal analysis of Li N H4 S O4 above room temperature
Journal of Physics: Condensed Matter, 1999, 11, 8995-9007
1527487 CIFCd Na O4 PP 21 n b6.5; 10.842; 5.051
90; 90; 90
355.959Hata, M.; Akao, M.; Okada, K.; Iwai, S.I.; Aoki, H.
The crystal structure of Na Cd P O4
Research Laboratory on Engineering Materials, Tokyo Institute of Technology: Report, 1979, 4, 43-48
1535067 CIFF Fe K O4 PP 21 n b10.65; 12.861; 6.362
90; 90; 90
871.401Belokoneva, E.L.; Tsirel'son, V.G.; Yakubovich, O.V.; Urusov, V.S.
Peculiarities of the crystal structure of K Fe F P O4 at 295 K and 173 K
Doklady Akademii Nauk SSSR, 1990, 310, 1129-1134
1538755 CIFCr K Li O4P 21 n b5.186; 8.345; 19.417
90; 90; 90
840.313Klevtsova, R.F.; Glinskaya, L.A.; Ishchenko, V.N.; Klevtsov, P.V.; Perepelitsa, A.P.; Aleksandrov, K.S.; Kruglik, A.I.
K Li Cr O4: Synthesis, crystal structure, and phase transitions
Kristallografiya, 1988, 33, 630-635
1539829 CIFC6 H27 Cl6 Cr N12 O12 PtP 21 n b10.97; 13.035; 19.987
90; 90; 90
2858.02Bondar, V.I.; Potekhin, K.A.; Rau, T.F.; Struchkov, Yu.T.; Rozman, S.P.; Rau, V.G.
Crystal structure of (Cr (O C N2 H4)6) (Pt (O H) Cl5) (Cl O4) (H2 O)
Doklady Akademii Nauk SSSR, 1988, 300, 1372-1374
1556332 CIFC42 H52 Cl2 N4 O3 VP 21 n b11.0873; 17.9157; 20.6832
90; 90; 90
4108.4Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.
Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts
Catal. Sci. Technol., 2013, 3, 152
1559404 CIFC11 H14 Br N3 Se2P 21 n b6.795; 10.212; 21.521
90; 90; 90
1493.4Hauge, Sverre; Maroy, Kjartan
Reactions between Selenocyanate and Bromine. Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Dibromoselenocyanate, [C6H5(CH3)3N][SeCNBr2], and Bromodiselenocyanate, [C6H5(CH3)3N][(SeCN)2Br]
Acta Chemica Scandinavica, 1992, 46, 1166-1169
2001015 CIF
Paper
C43 H37 Cl2 N P2 Ru SP 21 n b8.887; 20.495; 20.78
90; 90; 90
3784.8Simpson, S. J.
(η^5^-Cyclopentadienyl)(thiocyanato-<i>N</i>)bis(triphenylphosphine)ruthenium dichloromethane solvate
Acta Crystallographica Section C, 1992, 48, 544-545
2002182 CIFCu2 Ho2 O5P 21 n b12.478; 10.813; 3.495
90; 90; 90
471.6Freund, H R; Mueller-Buschbaum, Hk
Ueber Oxocuprate, XXIII. Zur Kenntnis von Ho2 Cu2 O5
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 609-611
2002190 CIFCu2 In2 O5P 21 n b12.32; 10.557; 3.281
90; 90; 90
426.7Freund, H R; Mueller-Buschbaum, Hk
Zur Kenntnis von In2 Cu2 O5
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1978, 441, 103-106
2002326 CIFCu2 Lu2 O5P 21 n b12.35; 10.698; 3.405
90; 90; 90
449.9Freund, H R; Mueller-Buschbaum, Hk
Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1123-1124
2002327 CIFCu2 O5 Sc2P 21 n b12.041; 10.452; 3.22
90; 90; 90
405.2Freund, H R; Mueller-Buschbaum, Hk
Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1123-1124
2003050 CIF
HKL
Paper
C24 H30 O3P 21 n b11.691; 17.51; 10.683
90; 90; 90
2186.9Hosomi, H.; Ito, Y.; Ohba, S.
Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester
Acta Crystallographica Section B, 1998, 54, 907-911
2003365 CIF
Paper
C14 H36 Cl4 N2 ZnP 21 n b7.447; 10.387; 30.082
90; 90; 90
2326.9Guo, N.; Lin, Y.-H.; Xi, S.-Q.
Bis(<i>n</i>-heptylammonium) Tetrachlorozincate
Acta Crystallographica Section C, 1995, 51, 617-619
2016071 CIF
HKL
Paper
O7 Ru Tb3P 21 n b10.5672; 14.5838; 7.3453
90; 90; 90
1131.98Nobuo Ishizawa; Tsuyoshi Suwa; Kenji Tateishi; James R. Hester
Synchrotron X-ray study of noncentrosymmetric Tb~3~RuO~7~ with partial structural disorder
Acta Crystallographica Section C, 2007, 63, i43-i46
2020378 CIFBa2 O4 TiP 21 n b6.107; 22.952; 10.54
90; 90; 90
1477.37Guenter, J.R.; Jameson, G.B.
Orthorhombic barium orthotitanate, alpha'-Ba2 Ti O4
Acta Crystallographica C (39,1983-), 1984, 40, 207-210
2100832 CIF
Paper
Cl2 Co H15 N6 O2P 21 n b10.349; 13.228; 6.864
90; 90; 90
939.7Kubota, M.; Ohba, S.
Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride
Acta Crystallographica Section B, 1992, 48, 627-632
2100833 CIF
Paper
Cl2 Co H15 N6 O2P 21 n b10.376; 13.355; 6.8307
90; 90; 90
946.5Kubota, M.; Ohba, S.
Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride
Acta Crystallographica Section B, 1992, 48, 627-632
2100934 CIF
Paper
C10 H12 Cr2 N6 O11P 21 n b22.454; 15.129; 5.189
90; 90; 90
1762.7Pecaut, J.; Masse, R.
Structure of bis(2-amino-5-nitropyridinium) dichromate as a step towards the design of efficient organic‒inorganic non-linear optical crystals
Acta Crystallographica Section B, 1993, 49, 277-282
2203074 CIF
HKL
Paper
C21 H19 N O3P 21 n b9.1755; 9.4488; 19.7807
90; 90; 90
1714.9Özdemir, Namık; Dinçer, Muharrem; Yılmaz, İbrahim; Çukurovalı, Alaaddin
1-Methyl-1-phenyl-3-(phthalimidoacetyl)cyclobutane
Acta Crystallographica Section E, 2004, 60, o14-o16
2207919 CIF
HKL
Paper
Gd3 O7 RuP 21 n b10.644; 14.685; 7.384
90; 90; 90
1154.2Nobuo Ishizawa; Keishi Hiraga; Douglas du Boulay; Hisashi Hibino; Takashi Ida; Shuji Oishi
A non-centrosymmetric polymorph of Gd~3~RuO~7~
Acta Crystallographica Section E, 2006, 62, i13-i16
2214339 CIF
HKL
Paper
Dy3 O7 RuP 21 n b10.516; 14.56; 7.333
90; 90; 90
1122.8Nobuo Ishizawa; Tsuyoshi Suwa; Kenji Tateishi
Dy~3~RuO~7~ with partial structural disorder
Acta Crystallographica Section E, 2007, 63, i163-i163
2225165 CIF
HKL
Paper
C10 H6 Cl N O2P 21 n b5.8193; 8.0689; 18.178
90; 90; 90
853.55Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
2-Chloroquinoline-3-carboxylic acid
Acta Crystallographica Section E, 2010, 66, o693
2238526 CIF
HKL
Paper
C10 H13 I N2 OP 21 n b6.569; 10.1342; 16.9357
90; 90; 90
1127.4Said, Mohamed El Hadi; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Chibani, Aissa; Bouraiou, Abdelmalek
2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-benzimidazol-3-ium iodide
Acta Crystallographica Section E, 2013, 69, o1429-o1430
4066263 CIFC25 H22 I O Os P SP 21 n b7.8046; 16.4655; 18.1317
90; 90; 90
2330.04Johns, Paul M.; Roper, Warren R.; Woodgate, Scott D.; Wright, L. James
Thermal Rearrangement of Osmabenzenes to Osmium Cyclopentadienyl Complexes†
Organometallics, 2010, 29, 5358
4085489 CIFC48 H69 Mg N5 OP 21 n b11.4752; 20.0367; 20.6247
90; 90; 90
4742.14Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine
Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates
Organometallics, 2015, 34, 2590
4106958 CIFC14 H37 B18 Co N P SeP 21 n b10.436; 11.2927; 23.4638
90; 90; 90
2765.22Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas
Relaxed but Highly Compact Diansa Metallacyclophanes
Journal of the American Chemical Society, 2011, 133, 16537-16552
4115333 CIFC12 H14 B2 D12 N18 Ni O6P 21 n b10.7548; 20.7363; 11.587
90; 90; 90
2584.1Christoph Janiak; Tobias G. Scharmann; Sax A. Mason
Two-Dimensional Water and Ice Layers: Neutron Diffraction Studies at 278, 263, and 20 K
Journal of the American Chemical Society, 2002, 124, 14010-14011
4130818 CIFC22 H23 Cl N O2 S2P 21 n b9.4658; 11.3757; 19.3517
90; 90; 90
2083.79Kennemur, Jennifer L.; Kortman, Gregory D.; Hull, Kami L.
Rhodium-Catalyzed Regiodivergent Hydrothiolation of Allyl Amines and Imines.
Journal of the American Chemical Society, 2016, 138, 11914-11919
4304260 CIFGd3 O7 RuP 21 n b10.6399; 14.6769; 7.3747
90; 90; 90
1151.64Nobuo Ishizawa; Kenji Tateishi; Saki Kondo; Tsuyoshi Suwa
Structural Phase Transition of Gd3RuO7
Inorganic Chemistry, 2008, 47, 558-566
4309644 CIFO7 Ru Sm3P 21 n b10.7412; 14.6661; 7.4154
90; 90; 90
1168.16William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye
Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7
Inorganic Chemistry, 2005, 44, 7047-7055
4309646 CIFEu3 O7 RuP 21 n b10.6783; 14.6397; 7.3823
90; 90; 90
1154.05William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye
Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7
Inorganic Chemistry, 2005, 44, 7047-7055
4311253 CIFO7 Ru Sm3P 21 n b10.7412; 14.6661; 7.4154
90; 90; 90
1168.16William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye
Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7
Inorganic Chemistry, 2004, 43, 4254-4261
4311255 CIFEu3 O7 RuP 21 n b10.6783; 14.6397; 7.3823
90; 90; 90
1154.05William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye
Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7
Inorganic Chemistry, 2004, 43, 4254-4261
4315722 CIFC14 H12 N4P 21 n b5.5208; 11.2278; 19.4945
90; 90; 90
1208.39Damijana Urankar; Balazs Pinter; Andrej Pevec; Frank De Proft; Iztok Turel; Janez Košmrlj
Click-Triazole N2 Coordination to Transition-Metal Ions Is Assisted by a Pendant Pyridine Substituent
Inorganic Chemistry, 2010, 49, 4820-4829
4320583 CIFC20 H40 Cl2 N6 O10 Zn2P 21 n b11.483; 14.166; 18.279
90; 90; 90
2973.4Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
Addition of Small Molecules by Zn(II) and Cu(II) Dinuclear Complexes Obtained by an Amino-Phenolic Ligand. Crystal Structures of the Dinuclear Zinc Complex Assembling Butanolate and Azide Anions
Inorganic Chemistry, 2001, 40, 6186-6192
4335581 CIFC12 Co N2 O13 P4P 21 n b22.3007; 10.0163; 8.60981
90; 90; 90
1923.18Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza
Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids
Inorganic Chemistry, 2013, 52, 8770-8783
4343662 CIFCl2 Co H15 N6 O2P 21 n b10.349; 13.228; 6.864
90; 90; 90
939.658Grenthe, I.; Nordin, E.
Nitrito-nitro-linkage isomerization in the solid state. 2. A comparative study of the structures of nitrito- and nitropentaamminecobalt(III) dichloride
Inorganic Chemistry, 1979, 18, 1869-1874
4343858 CIFO7 Os Sm3P 21 n b10.7627; 14.7725; 7.4334
90; 90; 90
1181.85Gemmill, W.R.; Smith, M.D.; Miller, G.J.; Mozharivsky, Yu.A.; zur Loye, H.C.
Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7
Inorganic Chemistry, 2005, 44, 7047-7055
4343859 CIFEu3 O7 OsP 21 n b10.703; 14.7385; 7.4143
90; 90; 90
1169.58Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.
Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7
Inorganic Chemistry, 2005, 44, 7047-7055
4343860 CIFGd3 O7 OsP 21 n b10.6459; 14.745; 7.3879
90; 90; 90
1159.71Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.
Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7
Inorganic Chemistry, 2005, 44, 7047-7055
4500529 CIFC2 Ca O9 PP 21 n b12.04226; 23.22101; 5.81899
90; 90; 90
1627.18Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.
Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening
Crystal Growth & Design, 2011, 11, 1713
4501844 CIFC22 H18 N4 Ni O6P 21 n b8.6762; 9.0956; 28.025
90; 90; 90
2211.6Kukovec, Boris-Marko; Vaz, Pedro D.; Calhorda, Maria José; Popović, Zora
Disappearing and Concomitant Polymorphism of Nickel(II) Complexes with 6-Hydroxypicolinic Acid. Structural and Density Functional Theory Studies
Crystal Growth & Design, 2010, 10, 3685
4505848 CIFC6 H15 Co N6 O4P 21 n b9.5719; 13.8582; 8.849
90; 90; 90
1173.8Chun, Hyungphil; Bernal, Ivan
Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures
Crystal Growth & Design, 2001, 1, 143
7010265 CIFC42 H50 Ag2 Br2 N6P 21 n b12.7737; 16.553; 20.1344
90; 90; 90
4257.28Tulloch, Arran A. D.; Danopoulos, Andreas A.; Winston, Scott; Kleinhenz, Sven; Eastham, Graham
N-Functionalised heterocyclic carbene complexes of silver
Journal of the Chemical Society, Dalton Transactions, 2000, 4499
7013194 CIFC32 H44 Cl2 Fe2 N6 O15P 21 n b13.453; 17.69; 18.692
90; 90; 90
4448Mukherjee, Jhumpa; Balamurugan, V.; Gupta, Rajeev; Mukherjee, Rabindranath
Synthesis and properties of FeIII and CoIII complexes: structures of [(L2)Fe(N3)3], [(L2)2Fe2(�-O)(�-O2CMe)2][ClO4]2�2H2O and [(L2)2Co2(�-OH)2(�-O2CMe)][ClO4]3�MeCN [L2 = methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine]Electronic supplementary information (ESI) available: Fig. S1?S3 discussed in the text. See http://www.rsc.org/suppdata/dt/b3/b305470e/
Dalton Transactions, 2003, 3686
7029565 CIFC30 H48 O2 S2 SnP 21 n b9.1556; 11.4783; 30.9541
90; 90; 90
3252.99Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.
Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 6880-6890
7039208 CIFC26 H31 Cl F6 N5 P RuP 21 n b8.687; 12.6406; 26.391
90; 90; 90
2898Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.
Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 9540-9552

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