Crystallography Open Database

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1000067 CIFLi O6 Sb WP b c n4.6664; 17.4435; 4.9941
90; 90; 90		406.5Le Bail, A; Duroy, H; Fourquet, J L
Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction
Materials Research Bulletin, 1988, 23, 447-452
1000090 CIFF5 Fe K2P b c n7.4059; 12.8771; 20.4282
90; 90; 90		1948.2Le Bail, A; Desert, A; Fourquet, J L
Reinvestigation of the structure of K~2~FeF~5~
Journal of Solid State Chemistry, 1990, 84, 408-412
1000225 CIFD4 F6 Fe Mn NP b c n7.7947; 12.8133; 10.5244
90; 90; 90		1051.1Leblanc, M; Ferey, G; de Pape, R; Pannetier, J
Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.
Solid State Communications, 1986, 165, 169-369
1000235 CIFF5 Fe H10 N2 OP b c n10.491; 8.09; 7.997
90; 90; 90		678.7Fourquet, J L; Plet, F; Calage, Y
Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~ (H~2~ O)
Journal of Solid State Chemistry, 1988, 74, 34-38
1000326 CIFF12 In2 Li4 ZnP b c n4.7496; 17.606; 5.0617
90; 90; 90		423.3Maguer, J J; Courbion, G
A tri-$-alpha-PbO~2~ related structure:Li~4~ZnIn~2~F~12~
Journal of Solid State Chemistry, 1993, 103, 466-471
1000330 CIFC2 Ba2 F3 O6 YP b c n9.458; 6.966; 11.787
90; 90; 90		776.6Mercier, N; Leblanc, M
Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
European Journal of Solid State Inorganic Chemistry, 1991, 28, 727-735
1000331 CIFC2 Ba2 F3 Gd O6P b c n9.513; 6.978; 11.864
90; 90; 90		787.6Mercier, N; Leblanc, M
Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
European Journal of Solid State Inorganic Chemistry, 1991, 28, 727-735
1000481 CIFBa F5 Fe H2 OP b c n10.314; 7.317; 13.463
90; 90; 90		1016Fourquet, J L; Duroy, H
Crystal Structures of Ba Fe F5 * H2 O
European Journal of Solid State Inorganic Chemistry, 1989, 26, 413-418
1001642 CIFK2 Mo2 O11 P2P b c n9.314; 8.8679; 10.954
90; 90; 90		904.8Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B
A molybdenum(V) diphosphate with a tunnel structure: $-beta-K2 Mo2 O4 P2 O7
Journal of Solid State Chemistry, 1995, 114, 481-485
1001835 CIFCa Cl2 H4 O2P b c n5.893; 7.469; 12.07
90; 90; 90		531.3Leclaire, A.; Borel, M. M.
Le dichlorure de calcium dihydrate
Acta Crystallographica, Section B, 1977, 33, 1608-1610
1006088 CIFCu Nb2 O6P b c n14.097; 5.613; 5.123
90; 90; 90		405.4Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
Journal of Solid State Chemistry, 1995, 115, 476-483
1006089 CIFCu0.36 Nb2 O6 Zn0.64P b c n14.187; 5.73; 5.031
90; 90; 90		409Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
Journal of Solid State Chemistry, 1995, 115, 476-483
1008066 CIFFe O4 UP b c n4.888; 11.937; 5.11
90; 90; 90		298.2Bachmann, M; Bertaut, E F
Structure du nouveau compose U Fe O~4~
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1967, 90, 257-258
1008067 CIFCr O4 UP b c n4.871; 11.787; 5.053
90; 90; 90		290.1Bacmann, M; Bertaut, E F
Structure de U Cr O~4~
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1964, 87, 275-276
1008069 CIFCr O4 UP b c n4.871; 11.787; 5.053
90; 90; 90		290.1Bacmann, M; Bertaut, E F; Bassi, G
Parametres atomiques et structure magnetique de U Cr O~4~
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1965, 88, 214-218
1008356 CIFFe Nb2 O6P b c n14.2661; 5.7334; 5.0495
90; 90; 90		413Bordet, P; McHale, A; Santoro, A; Roth, R S
Powder neutron diffraction study of Zr Ti O~4~, Zr~5~ Ti~7~ O~24~ and Fe Nb~2~ O~6~
Journal of Solid State Chemistry, 1986, 64, 30-46
1008697 CIFO24 Ti7.24 Zr4.76P b c n14.3574; 5.3247; 5.02
90; 90; 90		383.8Bordet, P; McHale, A; Santoro, A; Roth, R S
Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6
Journal of Solid State Chemistry, 1986, 64, 30-46
1008745 CIFMn Nb O6 TaP b c n14.418; 5.76; 5.099
90; 90; 90		423.5Klein, S; Weitzel, H
Magnetische Struktur von Mn (Nb0.5 Ta0.5)2 O6, Manganotantalit
Acta Crystallographica A (24,1968-38,1982), 1976, 32, 587-591
1008790 CIFO2 Ti0.5 Zr0.5P b c n4.8042; 5.4825; 5.0313
90; 90; 90		132.5Bordet, P; McHale, A; Santoro, A; Roth, R S
Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6
Journal of Solid State Chemistry, 1986, 64, 30-46
1008828 CIF
Paper		Fe1.78 Ge2.11 Mg0.11 O9 Pb2P b c n7.1486; 11.163; 10.145
90; 90; 90		809.6Barbier, J; Levy, D
Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite
Acta Crystallographica Section C, 1998, 54, 2-5
1100161 CIFC12 H19 N4 O6.5 ZnP b c n20.4557; 10.4408; 15.0918
90; 90; 90		3223.2Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan
'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'
Polyhedron, 2004, 23, 1505-1518
1100211 CIFC12 H33 I N P Si2P b c n25.54; 13.223; 11.653
90; 90; 90		3935.4Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.
Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^
Zeitschrift für Anorganische und Allgemeine Chemie, 2000, 626, 775-783
1100256 CIFC108 H198 K4 N4 O2 P6P b c n29.4359; 20.482; 18.9377
90; 90; 90		11417.7Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt
Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 473-479
1100371 CIFC40 H64 Li2 N2 O13 S2P b c n11.825; 21.268; 18.597
90; 90; 90		4677.04Boche, Gernot; Boie, Christiane; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael
[(N-Lithio-N-mesitylsulfonyloxy-tert-butylcarbamate)~2~·(thf)~3~]: Crystal Structure of a Nitrenoid
Angewandte Chemie, International Edition in English, 1994, 33, 115-117
1100425 CIFC33 H33 B Cr2 O6P b c n33.631; 12.174; 15.285
90; 90; 90		6258.04Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus
Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung
Chemische Berichte, 1996, 129, 859-869
1100551 CIFC24 H72 N6 P4 Si4 Zn3P b c n11.647; 17.897; 23.513
90; 90; 90		4901.2Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.
Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1434-1442
1100562 CIFC14 H42 N2 Si5P b c n14.878; 12.994; 12.597
90; 90; 90		2435.31Mommertz, Andreas; Geiseier, Gertraud; Harms, Klaus; Dehnicke, Kurt
Kristallstrukturen von Me~2~Si[N(SiMe~3~)~2~]~2~ und [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~ / Crystal Structures of Me~2~Si[N(SiMe~3~)~2~]~2~ and [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~
Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 1998, 53, 977-980
1100975 CIFC16 H20 Cl4 N8 Zn2P b c n11.747; 13.566; 14.367
90; 90; 90		2289.5Ruili Sang; Li Xu
A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties
Inorganic Chemistry, 2005, 44, 3731-3737
1101136 CIFC28 H36 Ag4 N16 O13 S3P b c n16.778; 18.433; 13.403
90; 90; 90		4145Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós
Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal
Anales de Quimica, International Edition, 1996, 92, 249-254
1101137 CIFC14 H16 N8 O3 Pt SP b c n14.207; 15.187; 17.165
90; 90; 90		3703.5Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José
Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}}
Inorganic Chemistry, 1996, 35, 7829-7835
1502107 CIFC13 H16 O4P b c n13.5; 15.178; 11.351
90; 90; 90		2325.9Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo
Regiocontrolled rearrangement of isobenzofurans.
Organic letters, 2011, 13, 2086-2089
1502177 CIFC40 H58 O2 S2P b c n9.585; 15.461; 23.811
90; 90; 90		3528.6Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei
Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.
Organic letters, 2011, 13, 2666-2669
1502676 CIFB H7 N2P b c n12.974; 5.0702; 9.5069
90; 90; 90		625.37Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter
Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
The journal of physical chemistry. A, 2010, 114, 10185-10196
1503091 CIFC25 H16 Fe N2 O2P b c n27.672; 10.248; 13.417
90; 90; 90		3804.8Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava
Specific recognition and sensing of CN- in sodium cyanide solution.
Organic letters, 2010, 12, 3406-3409
1503161 CIFC27 H23 N2 O4.5P b c n11.301; 17.774; 22.517
90; 90; 90		4522.9Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin
An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.
Organic letters, 2010, 12, 4026-4029
1503246 CIFC19 H19 Br O2P b c n25.683; 12.1372; 11.0178
90; 90; 90		3434.5Tang, Xiang-Ying; Wei, Yin; Shi, Min
Thermally induced electrocyclic reaction of methylenecyclopropane methylene diketone derivatives: a facile method for the synthesis of spiro[2.5]octa-3,5-dienes.
Organic letters, 2010, 12, 5120-5123
1503476 CIFC48 H36 N2 O2P b c n11.4305; 25.443; 12.0501
90; 90; 90		3504.5Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan
Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.
Organic letters, 2012, 14, 288-291
1503629 CIFC20 H22 N2 O5P b c n15.278; 15.133; 15.916
90; 90; 90		3679.8Chen, Fei; Feng, Zhang; He, Chun-Yang; Wang, Hao-Yang; Guo, Yin-Long; Zhang, Xingang
Pd-catalyzed dehydrogenative cross-coupling of polyfluoroarenes with heteroatom-substituted enones.
Organic letters, 2012, 14, 1176-1179
1503950 CIFC57.5 H40.5 Cl I2 OP b c n32.948; 17.014; 31.987
90; 90; 90		17931Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.
Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).
Organic letters, 2009, 11, 2527-2530
1504104 CIFC27 H24 N2 O3P b c n33.2133; 7.9061; 17.9377
90; 90; 90		4710.2Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah
One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.
Organic letters, 2009, 11, 4064-4067
1504370 CIFC5 H7 O2P b c n9.064; 9.227; 11.456
90; 90; 90		958.1Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504371 CIFC5 H7 O2P b c n9.062; 9.216; 11.411
90; 90; 90		953Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504372 CIFC5 H7 O2P b c n9.079; 9.247; 11.464
90; 90; 90		962.4Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504373 CIFC5 H7 O2P b c n9.099; 9.225; 11.495
90; 90; 90		964.9Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504374 CIFC5 H7 O2P b c n9.12; 9.359; 11.817
90; 90; 90		1008.6Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504375 CIFC10 H14 O4P b c n9.0859; 9.2413; 11.465
90; 90; 90		962.7Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504710 CIFC28 H28 N9.33P b c n27.601; 15.053; 9.1793
90; 90; 90		3813.8Zhang, En-Xuan; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang
Synthesis of large macrocyclic azacalix[n]pyridines (n = 6 - 9) and their complexation with fullerenes C(60) and C(70).
Organic letters, 2008, 10, 2565-2568
1504787 CIFC26 H10 S8P b c n18.403; 8.002; 14.417
90; 90; 90		2123.1Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C.
Tetrathiophenalenyl radical and its disulfide-bridged dimer.
Organic letters, 2008, 10, 3121-3123
1504913 CIFC94 H76 Cl4 N8 O8P b c n22.06; 12.69; 29.55
90; 90; 90		8272Ikeda, Chusaku; Sakamoto, Naoya; Nabeshima, Tatsuya
Synthesis and guest recognition ability of 2,3-dimethoxy-1,4-phenylene-containing porphyrinoids.
Organic letters, 2008, 10, 4601-4604
1505159 CIFC22 H30 N2 S3P b c n38.741; 12.0548; 9.6188
90; 90; 90		4492.1Pang, Hao; Skabara, Peter J.; Crouch, David J.; Duffy, Warren; Heeney, Martin; McCulloch, Iain; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.
Structural and Electronic Effects of 1,3,4-Thiadiazole Units Incorporated into Polythiophene Chains
Macromolecules, 2007, 40, 6585

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