Crystallography Open Database

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1536447 CIFCl18 N Na W6P 63/m8.836; 8.836; 17.84
90; 90; 120
1206.25Welch, E.J.; Yu, C.L.; Crawford, N.R.M.; Long, J.R.
Synthesis and characterization of the nitrogen-centered trigonal prismatic clusters [W6 N Cl18](n-) (n = 1-3)
Angew. Chem. Int. ed., 2005, 44, 2549-2553
1536517 CIFCa13 Cd76P a -325.3395; 25.3395; 25.3395
90; 90; 90
16270.2Pay Gomez, C.; Lidin, S.
Structure of Ca13Cd76; a novel approximant to the YbCd5.7 and Ca15Cd85 quasicrystals.
Angewandte Chemie (Edition international), 2001, 40, 4037-4039
1536518 CIFH16 N4 O56 Pt12 S12R -3 :H11.8974; 11.8974; 27.965
90; 90; 120
3428.07Wickleder, M.; Pley, M.
The Cluster Ion [Pt12 O8 (S O4)12]4-
Angewandte Chemie (Edition international), 2004, 43, 4168-4170
1536563 CIFBr7 In4R -3 m :H7.5775; 7.5775; 46.577
90; 90; 120
2316.08Dronskowski, R.
Synthesis, structure, and decay of In4 Br7
Angewandte Chemie (Edition international), 1995, 34, 1126-1128
1536564 CIFCu3 I3 P12P 1 21 112.846; 13.857; 9.651
90; 109.43; 90
1620.11Pfitzner, A.; Freudenthaler, E.
(Cu I)3 P12: a solid containing a new polymer of phosphorus predicted by theory
Angewandte Chemie (Edition international), 1995, 34, 1647-1649
1536622 CIFCs10.502 Nb16 W36C 1 2/c 134.10139; 30.495; 23.2829
90; 123.92; 90
20091.9Kim, G.-S.; Zeng, H.; van Derveer, D.; Hill, C.L.
A supramolecular tetra-Keggin polyoxometalate (Nb4 O6(alpha-Nb3 Si W9 O40)4)20-
Angew. Chem. Int. ed., 1999, 38, 3205-3207
1536767 CIFN3 Sr4C 1 2/m 16.6886; 3.8173; 13.7382
90; 96.447; 90
348.551Prots', Yu.; Tovar, M.; Auffermann, G.; Kniep, R.
Sr4N3: A Hitherto Missing Member in the Nitrogen Pressure Reaction Series Sr2NSr4N3SrNSrN2
Angewandte Chemie (Edition international), 2002, 41, 2288-2290
1536820 CIFCe16 N32 O6 Si15P a -315.4036; 15.4036; 15.4036
90; 90; 90
3654.83Koellisch, K.; Schnick, W.
Ce16 Si15 O6 N32 - An oxonitridosilicate with silicon octahedrally coordinated by nitrogen
Angew. Chem. Int. ed., 1999, 38, 357-358
1536886 CIFF7 H2 O2 S SbP 1 21/c 15.231; 8.203; 16.216
90; 91.73; 90
695.51Kornath, A.; Seelbinder, R.; Minkwitz, R.
Synthesis of Fluorodihydroxysulfonium Hexafluoroantimonate [F S (O H)2]+ [Sb F6]-
Angew. Chem. Int. ed., 2005, 44, 973-975
1536890 CIFAs6 K13 O300 W65P -118.272; 19.141; 24.156
100.034; 106.969; 111.885
7106.81Kortz, U.; Bassil, B.S.; Savelieff, M.G.; Dickman, M.H.
A large, novel polyoxotungstate: (As(III)6 W65 O217 (H2 O)7)(26-)
Angew. Chem. Int. ed., 2001, 40, 3384-3386
1536893 CIFAs2 H65 K6.25 Na Ni O99.5 W19P -111.7468; 17.4175; 24.1241
71.242; 77.115; 85.775
4555.93Kortz, U.; Bassil, B.S.; Savelieff, M.G.; Dickman, M.H.
A large, novel polyoxotungstate: (As(III)6 W65 O217 (H2 O)7)(26-)
Angew. Chem. Int. ed., 2001, 40, 3384-3386
1536925 CIFC40 H32 N8 O52 Si24P 1 21/a 127.7287; 4.97311; 13.93504
90; 103.732; 90
1866.68Zanardi, S.; Brunelli, M.; Alberti, A.; Fornes, V.; Cruciani, G.; Corma, A.
Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)
Angew. Chem. Int. ed., 2004, 43, 4933-4937
1536928 CIFO2 SiP 1 21/a 117.2569; 4.9881; 13.8482
90; 106.091; 90
1145.34Zanardi, S.; Fornes, V.; Alberti, A.; Brunelli, M.; Corma, A.; Cruciani, G.
Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)
Angew. Chem. Int. ed., 2004, 43, 4933-4937
1537005 CIFO14 Ru3 Sn15C 1 m 112.39; 7.074; 12.908
90; 108.6; 90
1072.25Reichelt, W.; Simon, A.; Rademacher, O.; Oppermann, H.; Soehnel, T.; Koehler, J.; Mattausch, H.J.
Condensed Ru Sn6 octahedra in Ru3 Sn15 O14
Angewandte Chemie (Edition international), 1995, 34, 2113-2114
1537047 CIFIn22 Li4 O33 S42P b c a28.172; 29.183; 40.094
90; 90; 90
32963Zheng Nanfeng; Feng Pingyun; Bu Xianhui
Pentasupertetrahedral clusters as buildung blocks for a three-dimensional sulfide superlattice
Angewandte Chemie (Edition international), 2004, 43, 4753-4755
1537055 CIFCs2 H6 N2 P4P 1 21/a 16.658; 12.579; 6.7026
90; 106.18; 90
539.115Kraus, F.; Aschenbrenner, J.C.; Korber, N.
P4(2-): A 6-pi aromatic polyphosphide in dicesium cyclotetraphosphide-ammonia(1/2)
Angew. Chem. Int. ed., 2003, 42, 4030-4033
1537079 CIFAl3 Ba17 O7P 42/n c m :214.808; 14.808; 18.862
90; 90; 90
4136Roehr, C.; George, R.
Das Submetallat Ba17 Al3 O7: Der erste Vertreter einer neuen Verbindungsklasse.
Angewandte Chemie (Edition international), 1995, 34, 2115-2116
1537170 CIFAs6 Cs22 Eu6 H112 K14 O254 W54P -323.56; 23.56; 15.3698
90; 90; 120
7388.38Fukaya, K.; Yamase, T.
Alkali-metal-controlled self-assembly of crown-shaped ring complexes of lanthanide/(alpha-(As W9 O33))(9-): (K (Eu (H2 O)2 (alpha-(As W9 O33)))6)(35-) and (Cs (Eu (H2 O)2 (alpha-(As W9 O33)))4)(23-)
Angew. Chem. Int. ed., 2003, 42, 654-658
1537172 CIFBa3 Pb5C m c m11.154; 9.053; 11.38
90; 90; 90
1149.12Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.
Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.
Angewandte Chemie (Edition international), 1995, 34, 2703-2705
1537174 CIFAs4 Cs17.75 Eu4 H65 Na6.25 O164.5 W36P -120.386; 28.1; 35.258
101.113; 102.605; 98.733
18940.4Fukaya, K.; Yamase, T.
Alkali Metal-Controlled Self-Assembly of Crown-Shaped Ring Complexes of Lanthanide/[alpha-AsW9O33](9-): [K {Eu(H2O)2(alpha-AsW9O33)}6](35-) and [Cs {Eu(H2O)2(AsW9O33)}4](23-)
Angew. Chem. Int. ed., 2003, 42, 654-658
1537176 CIFBa3 Sn5C m c m10.995; 8.987; 11.176
90; 90; 90
1104.32Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.
Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.
Angewandte Chemie (Edition international), 1995, 34, 2703-2705
1537180 CIFSn5 Sr3C m c m10.61; 8.557; 10.892
90; 90; 90
988.882Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.
Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.
Angewandte Chemie (Edition international), 1995, 34, 2703-2705
1537183 CIFBa3 Ge4C m m m11.799; 12.21; 12.097
90; 90; 90
1742.76Zürcher, Fabio; Nesper, Reinhard
Ba~3~Ge~4~: Polymerization of Zintl Anions in the Solid and Bond Stretching Isomerism
Angewandte Chemie, International Edition, 1998, 37, 3314-3318
1537187 CIFBa3 Ge4P 42/m n m8.621; 8.621; 12.031
90; 90; 90
894.164Zürcher, Fabio; Nesper, Reinhard
Ba~3~Ge~4~: Polymerization of Zintl Anions in the Solid and Bond Stretching Isomerism
Angewandte Chemie, International Edition, 1998, 37, 3314-3318
1537227 CIFBi14 Br16 PdP -110.848; 11.03; 11.157
118.15; 108.82; 91.94
1086.1Ruck, M.; Dubenskiy, V.; Soehnel, T.
Structure and bonding of Pd (Bi10)(4+) in the subbromide Bi14 Pd Br16
Angew. Chem. Int. ed., 2003, 42, 2978-2982
1537278 CIFCl2 Co22 Mo16 O184 P24P -116.0238; 17.6267; 19.6432
109.285; 113.379; 97.726
4575.65du Peloux, C.; Dolbecq, A.; Marrot, J.; Mialane, P.; Riviere, E.; Secheresse, F.
A new family of layered molybdenum(V) cobalto-phosphates built up of (H14 (Mo16 O32) Co16 (P O4)24 (H2 O)20)(10-) wheels
Angew. Chem. Int. ed., 2001, 40, 2455-2457
1537279 CIFCo19 H112 Mo16 Na4 O177 P24P 1 21/n 115.7711; 17.0194; 30.2699
90; 98.539; 90
8034.82du Peloux, C.; Dolbecq, A.; Riviere, E.; Mialane, P.; Secheresse, F.; Marrot, J.
A new family of layered molybdenum(V) cobalto-phosphates built up of (H14 (Mo16 O32) Co16 (P O4)24 (H2 O)20)(10-) wheels
Angew. Chem. Int. ed., 2001, 40, 2455-2457
1539771 CIFC20 Cr4 O20 Te4P 1 21/c 111.851; 17.799; 17.433
90; 104.91; 90
3553.44Blacque, O.; Brunner, H.; Wachter, J.; Kubicki, M.M.; Stubenhofer, B.; Nuber, B.; Wrackmeyer, B.
Coordinative stabilization of cyclo-tetratellurium as (Te4 (Cr (C O)5)4): The first organometallic derivative of a tellurium allotrope
Angewandte Chemie (Edition international), 1997, 35, 352-353
1541393 CIFC24 H68 F4 N4 O116 Si56A m m 212.525; 11.391; 22.053
90; 90; 90
3146.35Corma, A.; Puche, M.; Teat, S.J.; Rey, F.; Sankar, G.
A zeolite structure (ITQ-13) with three sets of medium-pore crossing channels formed by 9- and 10-rings
Angew. Chem. Int. ed., 2003, 42, 1156-1159
1541516 CIFC26 H60 Cl9 N11 Nb6 O6.865P 1 c 112.279; 12.648; 37.695
90; 100.231; 90
5761.13Naumov, N.G.; Cordier, S.; Perrin, C.
Two (Nb6 Cl9 O3 (C N)6)(5-) isomer anions in two Nb6 cluster oxyhalides: Cs5 (Nb6 Cl9 O3 (C N)6) * 4(H2 O) and (Me4 N)5 (Nb6 Cl9 O3 (C N)6) * 5(H2 O)
Angew. Chem. Int. ed., 2002, 41, 3002-3004
1541578 CIFC50 H124 Ge8 N6 Si12P -112.595; 12.768; 13.223
95.92; 103.53; 91.53
2053.55Schnepf, A.; Koeppe, R.
(Ge8 (N (Si Me3)2)6): a ligand-stabilized Ge cluster compound with formally zero-valent Ge atoms
Angew. Chem. Int. ed., 2003, 42, 911-913
1541664 CIFC78 H24 F48P a -323.229; 23.229; 23.229
90; 90; 90
12534.1Troyanov, S.I.; Troshin, P.A.; Boltalina, O.V.; Kemnitz, E.; Ioffe, I.N.; Sidorov, L.N.
Two isomers of C60 F48: an indented fullerene
Angew. Chem. Int. ed., 2001, 40, 2285-2287
1541707 CIFC24 H6 O24 Re6P 1 21/n 113.1182; 12.4078; 12.5694
90; 96.328; 90
2033.43Masciocchi, N.; Sironi, A.; Garavaglia, L.; d'Alfonso, G.
Complete structural characterization by ab initio x-ray powder diffraction of ((Re (mue-H) (C O)4)n) and ((Re (mue-H) (C O)4)6), inorganic analogues of polyethylene and cyclohexane
Angew. Chem. Int. ed., 2000, 39, 4478-4480
1541709 CIFC4 H O4 ReP 3114.9733; 14.9733; 6.9984
90; 90; 120
1358.83Masciocchi, N.; Sironi, A.; d'Alfonso, G.; Garavaglia, L.
Complete structural characterization by ab initio x-ray powder diffraction of ((Re (mue-H) (C O)4)n) and ((Re (mue-H) (C O)4)6), inorganic analogues of polyethylene and cyclohexane
Angew. Chem. Int. ed., 2000, 39, 4478-4480
1541717 CIFC6 H8 Cl9 Cs5 N6 Nb6 O7C 2 2 218.7854; 23.9393; 18.027
90; 90; 90
3791.37Naumov, N.G.; Cordier, S.; Perrin, C.
Two (Nb6 Cl9 O3 (C N)6)(5-) isomer anions in two Nb6 cluster oxyhalides: Cs5 (Nb6 Cl9 O3 (C N)6) * 4(H2 O) and (Me4 N)5 (Nb6 Cl9 O3 (C N)6) * 5(H2 O)
Angew. Chem. Int. ed., 2002, 41, 3002-3004
1542303 CIFN O PP 1 21/c 112.2472; 4.83618; 10.8604
90; 115.803; 90
579.124Baumann, Dominik; Sedlmaier, Stefan J.; Schnick, Wolfgang
An Unprecedented AB2 Tetrahedra Network Structure Type in a High-Pressure Phase of Phosphorus Oxonitride (PON)
Angewandte Chemie International Edition, 2012, 51, 4707-4709
1542338 CIF
HKL
C414 H324P -121.4238; 24.3862; 32.254
78.729; 76.442; 69.579
15231.9Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest
Building Giant Carbocycles by Reversible C-C Bond Formation
Angew. Chem. Int. Ed., 2016, 55, 894-898
1542339 CIF
HKL
C340 H338C 1 2/c 140.4249; 19.5832; 34.5941
90; 104.404; 90
26525.6Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest
Building Giant Carbocycles by Reversible C-C Bond Formation
Angew. Chem. Int. Ed., 2016, 55, 894-898
1542340 CIF
HKL
C388 H398P -119.769; 20.688; 21.451
99.349; 97.218; 114.704
7678.8Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest
Building Giant Carbocycles by Reversible C-C Bond Formation
Angew. Chem. Int. Ed., 2016, 55, 894-898
1543059 CIFC4 H10 ZnI 41 m d9.893; 9.893; 5.3
90; 90; 90
518.7Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander
The Solid-State Structures of Dimethylzinc and Diethylzinc
Angewandte Chemie International Edition, 2011, 50, 11685
1543060 CIFC2 H6 ZnP 42/m n m6.849; 6.849; 4.182
90; 90; 90
196.2Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander
The Solid-State Structures of Dimethylzinc and Diethylzinc
Angewandte Chemie International Edition, 2011, 50, 11685
1543061 CIFC2 H6 ZnP 1 21/n 17.457; 7.497; 7.484
90; 114.12; 90
381.9Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander
The Solid-State Structures of Dimethylzinc and Diethylzinc
Angewandte Chemie International Edition, 2011, 50, 11685
1547274 CIFBa D1.56 GeP n m a15.804; 4.2293; 25.855
90; 90; 90
1728.1Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger
Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds
Angewandte Chemie International Edition, 2017, 56, 12344-12347
1547275 CIFD1.49 Si SrP n m a15.0698; 3.9503; 24.6424
90; 90; 90
1467Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger
Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds
Angewandte Chemie International Edition, 2017, 56, 12344
1571471 CIFC3 Na2 O2I 1 2/a 18.313; 7.2925; 6.4432
90; 102.186; 90
381.8Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe
Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion.
Angewandte Chemie (International ed. in English), 2024, e202402978
3000467 CIF
HKL
C12 H16 N4 O9 PdP -16.702; 9.832; 13.1889
95.501; 93.318; 107.373
822.17Pérez-Romero, Antonio; Cano-Muñoz, Mario; López-Chamorro, Carmen; Conejero-Lara, Francisco; Palacios, Oscar; Dobado, José A; Galindo, Miguel A
Selective Formation of Pd-DNA Hybrids Using Tailored Palladium-Mediated Base Pairs: Towards Heteroleptic Pd-DNA Systems.
Angewandte Chemie International Edition, 2024, 63, e202400261
5000145 CIFC8 N8 O16C 1 2/c 112.7852; 8.8395; 13.9239
90; 98.031; 90
1558.17Zhang, Mao-Xi; Eaton, Philip E.; Gilardi, Richard
Hepta- and Octanitrocubanes
Angewandte Chemie International Edition, 2000, 39, 401-404
5000157 CIFC2 H4 OP 1 21/n 14.645; 8.407; 6.664
90; 100; 90
256.28Luger, Peter; Zaki, Chakib; Buschmann, Jürgen; Rudert, Rainer
Ethylene Oxide‒X-Ray Structure Analysis (at 150 K) and ab initio Calculations
Angewandte Chemie, International Edition, 1986, 25, 276-277
5000237 CIFC54 H94 Ag4 Cl4 N12 O33P 21 21 2113.739; 20.864; 28.778
90; 90; 90
8249.23Wipf, Peter; Venkatraman, Srikanth; Miller, Chris P.; Geib, Steven J.
Metal Complexes of Marine Peptide Metabolites: A Novel Ag~4~ Cluster
Angewandte Chemie, International Edition, 1994, 33, 1516-1518
5000310 CIFC123 H199.5 Cl9.5 Mn8 N8 O44.75C 1 2/c 122.189; 32.402; 22.521
90; 115.6; 90
14602.4Knapp, Michael J.; Hendrickson, David N.; Grillo, Vincent A.; Bollinger, John C.; Christou, George
Bis(bipyridine) Ligands in Manganese Carboxylate Cluster Chemistry: Self-Assembly of a Cluster Complex with Two Butterfly-Like [Mn~4~(μ3^-^O)~2~]^8+^ Cores
Angewandte Chemie, International Edition, 1996, 35, 1818-1820

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