Crystallography Open Database

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1000036 CIFH2 Mg3 O12 Si4C 1 c 15.33; 9.18; 28.85
90; 93.25; 90		1409.3Hendricks, S B; Jefferson, M E
Crystal structure of vermiculites and mixed vermiculite-chlorites
American Mineralogist, 1938, 23, 851-862
1000216 CIFBa Cu F7 FeC 1 c 110.695; 9.932; 5.654
90; 118.53; 90		527.7Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G
Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~
Revue de Chimie Minerale, 1985, 22, 74-87
1000341 CIFBa2 F6 O TiC 1 c 111.446; 9.304; 7.252
90; 126.67; 90		619.4Crosnier, M P; Fourquet, J L
Synthesis and crystal structure of a new acentric oxyfluoride: Ba~2~TiOF~6~
Journal of Solid State Chemistry, 1992, 99, 355-363
1000378 CIFCu0.975 In P2 S6C 1 c 16.0956; 10.5645; 13.623
90; 107.101; 90		838.5Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P
Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6
Journal of Alloys Compd., 1995, 218, 157-164
1001253 CIFC H17 Co N8 O8C 1 c 113.201; 7.813; 12.2
90; 108.72; 90		1191.7Bernard, M A; Borel, M M; Grandin, A; Leclaire, A
Mise en evidence du ligand carbamato synthetise en milieu aqueux. Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~
Revue de Chimie Minerale, 1979, 16, 477-484
1001294 CIFAs3 Br Cd2C 1 c 18.286; 9.408; 7.987
90; 101.3; 90		610.6Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin, 1981, 16, 525-533
1001295 CIFCd2 I P3C 1 c 18.243; 9.334; 7.516
90; 99.8; 90		569.8Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin, 1981, 16, 525-533
1001296 CIFBr Cd2 P3C 1 c 18.077; 9.088; 7.534
90; 100.3; 90		544.1Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin, 1981, 16, 525-533
1001297 CIFCd2 Cl P3C 1 c 17.969; 8.984; 7.554
90; 100.8; 90		531.2Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide
Materials Research Bulletin, 1981, 16, 525-533
1001837 CIFAs3 Cd2 IC 1 c 18.436; 9.594; 7.952
90; 100.65; 90		632.5Rebbah, A; Leclaire, A; Yazbeck, J; Deschanvres, A
Structure de l'iodure de cadmium et d'arsenic Cd2 As3 I
Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2197-2199
1004025 CIFC16 H96 N8 O68 P16 Zn8C 1 c 112.645; 10.8477; 14.6311
90; 98.793; 90		1983.3Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V.
Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O
European Journal of Solid State and Inorganic Chemistry, 1998, 35, 373-387
1004058 CIFH O9 S2 Tl3C 1 c 17.758; 17.587; 7.356
90; 119.91; 90		870Abraham, F; Nowogrocki, G; Jolibois, B; Laplace, G
On Basic Thallium Sulfates: Structure of Tl~2~ Tl OH(SO~4~)~2~
Journal of Solid State Chemistry, 1983, 47, 1-5
1007048 CIFCr4 K3 O16 PC 1 c 19.512; 11.74; 14.74
90; 106.13; 90		1581.2Averbuch-Pouchot, M T; Durif, A; Guitel, J C
Crystal structure of K~3~ P Cr~4~ O~16~: A second example of a quaternary phosphorus
Journal of Solid State Chemistry, 1981, 38, 253-258
1007064 CIFH14 N2 O10 S TeC 1 c 113.741; 6.631; 11.405
90; 106.75; 90		995.1Zilber, R; Durif, A; Averbuch-Pouchot, M T
Structure of Ammonium Sulfate Tellurate Te (O H)~6~ (N H~4~)~2~ S O~4~
Acta Crystallographica B (24,1968-38,1982), 1981, 37, 650-652
1007215 CIFH38 N8 O27 P8C 1 c 124.268; 6.7; 20.586
90; 112.06; 90		3102.1Schuelke, U; Averbuch-Pouchot, M T; Durif, A
Preparation and crystal structure of ammonium cyclooctaphosphate trihydrate: (NH~4~)~8~P~8~O~24~ . 3H~2~O
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 374-380
1007242 CIFCu K2 O12 P4C 1 c 110.94; 12.25; 7.904
90; 100.49; 90		1041.6Laugt, M; Durif, A
Etude systematique des phosphates condenses
Seminaire de Chimie de l'Etat Solide 1971-72, 1972, 1972, 157-175
1008019 CIFCd H10 N Na O10 P2C 1 c 110.211; 16.56; 5.632
90; 103.73; 90		925.1Averbuch-Pouchot, M T; Guitel, J C
Donnees cristallochimiques sur deux nouveaux diphosphates mixtes, Ca N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et structure cristalline de Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3460-3462
1008173 CIFCr4 O16 P Rb3C 1 c 19.712; 11.98; 14.9
90; 106.02; 90		1666.3Averbuch-Pouchot, M T
Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~
Zeitschrift fuer Kristallographie (149,1979-), 1981, 155, 315-317
1008174 CIFAs Cr4 O16 Rb3C 1 c 19.804; 11.96; 14.92
90; 105.91; 90		1682.4Averbuch-Pouchot, M T
Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~
Zeitschrift fuer Kristallographie (149,1979-), 1981, 155, 315-317
1011045 CIFAl2 H4 O9 Si2C 1 c 15.148; 8.92; 14.535
90; 100.2; 90		656.9Gruner, W J
The Crystal Structure of Kaolinite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1932, 83, 75-88
1011062 CIFAl2 H4 O9 Si2C 1 c 18.94; 5.14; 43
90; 90.33; 90		1975.9Hendricks, S B
The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the Polymorphism of the Kaolin Minerals.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1939, 100, 509-518
1011080 CIFAl2 H4 O9 Si2C 1 c 15.16; 8.93; 28.65999
90; 91.72; 90		1320Gruner, J W
The crystal structure of Nacrite and a comparison of certain optical properties of the caolin group with its structures
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1933, 85, 345-354
1100128 CIFC2 F2 Na3 O6 YbC 1 c 17.127; 29.816; 6.928
90; 112.56; 90		1359.54Ben Ali, A.; Maisonneuve, V.; Leblanc, M.
Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2
Solid State Sciences, 2002, 4, 1367-1375
1100349 CIFC28 H44 Li O4 SiC 1 c 115.3; 10.13; 19.369
90; 109.6; 90		2828.04Boche, Gernot; Opel, Achim; Marsch, Michael; Harms, Klaus; Hallera, Friederike; Lohrenz, John C. W.; Thümmler, Christina; Koch, Wolfram
α-Oxygen-Substituted Organolithium Compounds and Their Carbenoid Nature: Calculations of the Configurational Stability and of LiCH~2~OH Model Structures, Crystal Structure of Diphenyl(trimethylsilyloxy)methyllithium · 3 THF, and the Stereochemistry of the (Reverse) Brook Rearrangement
Chemische Berichte, 1992, 125, 2265-2273
1100373 CIFC30 H40 Br2 Mg O4C 1 c 19.29; 19.368; 17.159
90; 99.63; 90		3043.89Boche, Gernot; Harms, Klaus; Marsch, Michael; Müller, Achim
9-Bromo-9-[(bromomagnesium)methylene]fluorene‒tetrahydrofuran (1/4) structure of a MgBr/Br carbenoid
Journal of the Chemical Society, Chemical Communications, 1994, 1393-1394
1100485 CIFC18 H42 Cl3 N2 Nb P2C 1 c 113.027; 13.217; 16.72
90; 111.71; 90		2674.61Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.
Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1996, 622, 1927-1934
1100487 CIFC18 H42 Cl3 N2 P2 TaC 1 c 113.039; 13.272; 16.821
90; 111.92; 90		2700.49Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.
Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1996, 622, 1927-1934
1100706 CIFH2 In O14 Rb3 Si5C 1 c 19.0697; 11.5456; 13.9266
90; 102.3; 90		1424.85Ling-I Hung; Sue-Lein Wang; Chia-Yi Chen; Bor-Chen Chang; Kwang-Hwa Lii
Rb3In(H2O)Si5O13: A Novel Indium Silicate with a CdSO4-Topological-Type Structure
Inorganic Chemistry, 2005, 44, 2992-2994
1100942 CIFC28.5 H21.25 Cl3 N6.75 O14 RuC 1 c 121.1704; 30.04; 14.8373
90; 133.379; 90		6858.3Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri
Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects
Inorganic Chemistry, 2005, 44, 3499-3511
1100978 CIFC8 H10 Cd I2 N4C 1 c 15.3546; 15.7642; 15.773
90; 96.989; 90		1321.5Ruili 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
1101060 CIFC5 H4 Ag Cl N4 O5C 1 c 16.6046; 14.487; 9.9594
90; 93.379; 90		951.3Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure
Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.
Dalton Transactions, 2001, 1798-1801
1501855 CIFC17 H18 N2 O2C 1 c 18.782; 19.177; 9.362
90; 113.9; 90		1441.5Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier
DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.
Organic letters, 2011, 13, 192-195
1501879 CIFC28 H29 N3 O3C 1 c 116.7182; 15.0048; 9.8096
90; 102.86; 90		2399Scadeng, Owen; Ferguson, Michael J.; West, F. G.
Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.
Organic letters, 2011, 13, 114-117
1501946 CIFC57 H54 N O6 PC 1 c 118.5397; 15.0248; 17.6084
90; 103.518; 90		4769Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang
Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.
Organic letters, 2011, 13, 940-943
1501974 CIFC21 H20 Br N O3C 1 c 120.2038; 5.1569; 18.62
90; 114.023; 90		1771.96Deb, Indubhusan; Das, Deepankar; Seidel, Daniel
Redox isomerization via azomethine ylide intermediates: N-alkyl indoles from indolines and aldehydes.
Organic letters, 2011, 13, 812-815
1502001 CIFC24 H24 N2 OC 1 c 112.118; 13.959; 12.467
90; 107.72; 90		2008.8Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng
One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.
Organic letters, 2011, 13, 1626-1629
1502144 CIFC22 H17 N OC 1 c 15.997; 19.04; 14.366
90; 90.985; 90		1640Ren, Hui; Luo, Yong; Ye, Shengqing; Wu, Jie
Silver triflate catalyzed reaction of 2-alkynylbenzaldoxime with aryne.
Organic letters, 2011, 13, 2552-2555
1502242 CIFC20 H23 N O3C 1 c 110.639; 15.23; 10.594
90; 107.204; 90		1639.8Bhat, Vikram; Mackay, James A.; Rawal, Viresh H.
Directed oxidative cyclizations to C2- or C4-positions of indole: efficient construction of the bicyclo[4.3.1]decane core of welwitindolinones.
Organic letters, 2011, 13, 3214-3217
1502247 CIFC14 H12 B F2 N O2C 1 c 118.698; 6.3535; 13.0976
90; 123.74; 90		1293.9Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond
Facile synthesis of highly fluorescent Boranil complexes.
Organic letters, 2011, 13, 3414-3417
1502417 CIFC16 H23 N O5C 1 c 114.7468; 5.0698; 21.3719
90; 100.896; 90		1569.03Cui, Sunliang; Wojtas, Lukasz; Antilla, Jon C.
Pd-catalyzed C4-olefination of oxazoles via C-H bond activation: divergent synthesis of functionalized amino alcohol and amino acid derivatives.
Organic letters, 2011, 13, 5040-5043
1502439 CIFC32 H25 F O4C 1 c 125.2131; 10.2122; 9.6812
90; 92.312; 90		2490.7Fang, Xinqiang; Chen, Xingkuan; Chi, Yonggui Robin
Enantioselective Diels-Alder reactions of enals and alkylidene diketones catalyzed by N-heterocyclic carbenes.
Organic letters, 2011, 13, 4708-4711
1502592 CIFC13 H18 I N O2C 1 c 16.8234; 22.6101; 9.6941
90; 107.665; 90		1425.06Tasker, Sarah Z.; Brandsen, Benjamin M.; Ryu, Keun Ah; Snapper, Gregory S.; Staples, Richard J.; DeKock, Roger L.; Anderson, Carolyn E.
Synthesis of a new class of β-iodo N-alkenyl 2-pyridones.
Organic letters, 2011, 13, 6224-6227
1502703 CIFF N3 O2 SC 1 c 17.0017; 13.5124; 5.017
90; 121.37; 90		405.27Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge
Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3).
The journal of physical chemistry. A, 2010, 114, 7624-7630
1502780 CIFC41 H39 Br Ir N3C 1 c 111.597; 19.586; 15.383
90; 100.67; 90		3433.7Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui
Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects
Macromolecules, 2010, 43, 8479
1502858 CIFC12 H19 N O2C 1 c 115.0518; 7.8121; 10.9784
90; 127.009; 90		1030.8Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey
A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.
Organic letters, 2010, 12, 1244-1247
1502938 CIFC30 H24 Cl N O2C 1 c 15.5972; 22.0274; 19.8862
90; 91.438; 90		2451Yu, Xiuzhao; Du, Bo; Wang, Kai; Zhang, Junliang
Highly substituted 2,3-dihydroisoxazoles by Et(3)N-catalyzed tandem reaction of electron-deficient 1,3-conjugated enynes with hydroxylamines.
Organic letters, 2010, 12, 1876-1879
1502967 CIFC14 H17 N O PC 1 c 19.0672; 21.933; 7.2346
90; 110.83; 90		1344.7Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola
Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.
Organic letters, 2010, 12, 2298-2301
1503022 CIFC30 H29 NC 1 c 118.025; 12.343; 12.143
90; 120.46; 90		2328.7Wang, Yuxing; Liao, Qian; Xi, Chanjuan
Copper-catalyzed amination of alkenyl halides: efficient method for the synthesis of enamines.
Organic letters, 2010, 12, 2951-2953
1503393 CIFC92 H66C 1 c 112.3608; 45.744; 11.5273
90; 100.85; 90		6401.4Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.
Hexaphenylbenzenes as potential acetylene sponges.
Organic letters, 2010, 12, 380-383
1503546 CIFC66 H100 Cl2 N12 O8C 1 c 119.8924; 18.594; 18.4455
90; 90.145; 90		6822.6Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan
Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.
Organic letters, 2012, 14, 684-687

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