Crystallography Open Database

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1000482 CIFLa2 O5 Pd2P 42/m6.703; 6.703; 5.63
90; 90; 90
253Attfield, J P; Ferey, G
Structural correlations within the lanthanum palladium oxide family
Journal of Solid State Chemistry, 1989, 80, 286-298
1010964 CIFNi0.13 Pd0.31 Pt0.56 SP 42/m6.37; 6.37; 6.58
90; 90; 90
267Bannister, F A
The discovery of braggite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1937, 96, 201-202
1011155 CIFPd SP 42/m6.43; 6.43; 6.63
90; 90; 90
274.1Gaskell, T F
The structure of braggite and palladium sulphide.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1937, 96, 203-213
1502707 CIFC16 H100 Cl N O32P 42/m23.5711; 23.5711; 12.4361
90; 90; 90
6909.5Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.
Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.
The journal of physical chemistry. B, 2010, 114, 11838-11846
1502708 CIFC16 H100 Cl N O32P 42/m23.5818; 23.5818; 12.4148
90; 90; 90
6903.9Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.
Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.
The journal of physical chemistry. B, 2010, 114, 11838-11846
1502709 CIFC16 H96 Cl N O30P 42/m23.5211; 23.5211; 12.488
90; 90; 90
6908.9Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.
Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.
The journal of physical chemistry. B, 2010, 114, 11838-11846
1502710 CIFC16 H96 Cl N O30P 42/m23.488; 23.488; 12.529
90; 90; 90
6912Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.
Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.
The journal of physical chemistry. B, 2010, 114, 11838-11846
1511700 CIFB8 Ru7 Sr2P 42/m6.444; 6.444; 10.156
90; 90; 90
421.729Jung, W.; Diessenbacher, F.
Sr2Ru7B8, ein Strontium-Rutheniumborid mit einer neuen, vom AlB2-Typ abgeleiteten Kanalstruktur
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 594, 57-65
1512259 CIFC16 H101 Br N O32.5P 42/m23.506; 23.506; 12.563
90; 90; 90
6941Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu
Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.
The journal of physical chemistry. B, 2013, 117, 10677-10685
1521846 CIFFe0.97 Mo0.94 O5.81 Sr2P 42/m5.5741; 5.5741; 7.9243
90; 90; 90
246.213Ritter, C.; Ibarra, M.R.; Garcia, J.; Morellon, L.; Blasco, J.; de Teresa, J.M.
Structural and magnetic properties of double perovskites A A' Fe Mo O6 (AA' = Ba2, BaSr, Sr2, Ca)
Journal of Physics: Condensed Matter, 2000, 12, 8295-8308
1524399 CIFCu4 PdP 42/m5.826; 5.826; 7.328
90; 90; 90
248.729Geisler, A.H.; Newkirk, J.B.
Ordering reaction of the Cu4 Pd alloys
Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers, 1954, 200, 1076-1082
1526605 CIFI8 In10 P21.2 Sn14P 42/m24.745; 24.745; 11.067
90; 90; 90
6776.49Shatruk, M.M.; Kovnir, K.A.; Shevel'kov, A.V.; Presnyakov, I.A.; Kloo, L.A.; Lindsjo, M.
Novel compounds Sn10 In14 P22 I8 and Sn14 In10 P21.2 I8 with clathrate I structure: synthesis and crystal and electronic structure
Journal of Solid State Chemistry, 2001, 161, 233-242
1534886 CIFC H3 Cu SP 42/m8.4488; 8.4488; 4.0059
90; 90; 90
285.95Baumgartner, M.; Schmalle, H.W.; Baerlocher, C.
Synthesis, characterization, and crystal structure of three homoleptic copper(I) thiolates: (Cu (C H3 S-)), ((C6 H5)4 P+)2 (Cu5 (C H3 S-)7) * C2 H6 O2, and ((C3 H7)4 N+)2 (Cu4 (C H3 S-)6)*CH4O
Journal of Solid State Chemistry, 1993, 107, 63-75
1536093 CIFCo4 In9.08 Zn2.92P 42/m6.6975; 6.6975; 6.996
90; 90; 90
313.816Viklund, P.; Lidin, S.
Variations of the Fe Ga3 structure type in the systems Co In3-x Znx and Co Ga3-x Znx.
Journal of Solid State Chemistry, 2002, 165, 100-110
1536097 CIFCo4 In10 Zn2.066P 42/m6.7255; 6.7255; 7.0087
90; 90; 90
317.02Viklund, P.; Lidin, S.
Variations of the Fe Ga3 structure type in the systems Co In3-x Znx and Co Ga3-x Znx.
Journal of Solid State Chemistry, 2002, 165, 100-110
1537059 CIFH6 K2 Li N3P 42/m6.872; 6.872; 11.706
90; 90; 90
552.809Kraus, F.; Korber, N.
K2 Li (N H2)3 and K2 Na (N H2)3 - Synthesis and crystal structure of two crystal-chemically isotypic mixed-cationic amides
Journal of Solid State Chemistry, 2005, 178, 1241-1246
1537061 CIFH6 K2 N3 NaP 42/m7.0044; 7.0044; 12.3617
90; 90; 90
606.485Kraus, F.; Korber, N.
K2 Li (N H2)3 and K2 Na (N H2)3 - Synthesis and crystal structure of two crystal-chemically isotypic mixed-cationic amides
Journal of Solid State Chemistry, 2005, 178, 1241-1246
1538224 CIFPd SP 42/m6.4287; 6.4287; 6.6082
90; 90; 90
273.105Gronvold, F.; Rost, E.
On the Sulfides, Selenides and Tellurides of Palladium
Acta Chemica Scandinavica (1-27,1973-42,1988), 1956, 10, 1620-1634
1540967 CIFCl6 H12 Mo N3P 42/m8.822; 8.822; 7.271
90; 90; 90
565.885Shibahara, T.; Yamasaki, M.
A new synthetic route to Hexachloromolybdate(III). An X-ray structure of (NH~4~)~3~[MoCl~6~]
Bulletin of the Chemical Society of Japan, 1990, 63, 3022-3023
1559454 CIFC10 H24 Br3 Mn N4P 42/m7.971; 7.971; 13.002
90; 90; 90
826.1Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten
Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
Acta Chemica Scandinavica, 1991, 45, 244-253
2000508 CIF
Paper
C10 H24 Br2 Cl Cr N4P 42/m7.775; 7.775; 13.686
90; 90; 90
827.33Chattopadhyay, T. K.; Palmer, R. A.; Lisgarten, J. N.; Wyns, L.; Gazi, D. M.
Structures of chromium(III) cyclam complexes. 4. Structure of <i>trans</i>-bromochloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide displaying structural enantiomorphism with the dibromo complex
Acta Crystallographica Section C, 1992, 48, 1756-1759
2007347 CIF
Paper
C14 H32 Cl3 Co N4 O4P 42/m7.711; 7.711; 17.076
90; 90; 90
1015.3Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Liu, Guey-Sung; Chi, Ta-Yung; Chung, Chung-Sun
<i>trans</i>-Dichloro[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]cobalt(III) Perchlorate
Acta Crystallographica Section C, 1998, 54, 714-716
2100002 CIFCa F6 TbP 42/m5.2696; 5.2696; 7.7105
90; 90; 90
214.106Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel
Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides
Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10
2100003 CIFCd F6 TbP 42/m5.1877; 5.1877; 7.69451
90; 90; 90
207.077Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel
Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides
Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10
2102529 CIF
Paper
C2 Cl4 O2 Pt2P 42/m11.183; 11.183; 3.525
90; 90; 90
440.8Prof. Clemente Dore Augusto; Prof. Marzotto Armando
30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
Acta Crystallographica Section B, 2004, 60, 287-292
2103211 CIF
Paper
?P 42/m15.251; 15.251; 9.821
90; 90; 90
2284.3Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Some 60 new space-group corrections
Acta Crystallographica Section B, 2002, 58, 62-77
2108041 CIFF4 ZrP 42/m7.896; 7.896; 7.724
90; 90; 90
481.57Papiernik, R.; Mercurio, D.; Frit, B.
Structure du tetrafluorure de zirconium, ZrF4 alpha
Acta Crystallographica, Section B, 1982, 38, 2347-2353
2201296 CIF
HKL
Paper
C16 H40 Br8 Hg3 N2P 42/m10.0888; 10.0888; 16.094
90; 90; 90
1638.1Nockemann, Peter; Meyer, Gerd
Bis(tetraethylammonium) octabromotrimercurate(II), (Et~4~N)~2~[Hg~3~Br~8~]
Acta Crystallographica Section E, 2002, 58, m531-m533
2213325 CIF
HKL
Paper
O8 Sr Te3P 42/m6.8321; 6.8321; 6.7605
90; 90; 90
315.56Weil, Matthias; Stöger, Berthold
Redetermination of SrTe~3~O~8~ from a hydrothermally grown single crystal
Acta Crystallographica Section E, 2007, 63, i116-i118
4001124 CIFLa Mn5 O13 Sr4P 42/m8.73091; 8.73091; 7.70497
90; 90; 90
587.34Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Chemistry of Materials, 2008, 20, 1636
4001127 CIFLa Mn5 O13 Sr4P 42/m8.7206; 8.7206; 7.7289
90; 90; 90
587.8Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.
Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study
Chemistry of Materials, 2008, 20, 1636
4085125 CIFC36 H53 Fe4 Ir N2 O12P 42/m18.9215; 18.9215; 12.4689
90; 90; 90
4464.2Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano
[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters
Organometallics, 2015, 34, 189
4107957 CIFC58 H56 F21 N32 Na O31P 42/m18.6306; 18.6306; 15.2173
90; 90; 90
5281.9Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs
Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization
Journal of the American Chemical Society, 2008, 130, 8446-8454
4110628 CIFC14.5 H17.5 Br Cu N8 O1.5 PP 42/m19.93; 19.93; 14.509
90; 90; 90
5763Vadapalli Chandrasekhar; Ramachandran Azhakar; Venkatasubbaiah Krishnan; Arunachalampillai Athimoolam; Balasubramanian Murugesa Pandian
Cyclocarbophosphazene-Containing Tetrameric Assemblies Formed by the Mediation of P-O-P and P-O-Cu Linkages
Journal of the American Chemical Society, 2006, 128, 6802-6803
4115725 CIFC26 H36 P YP 42/m11.1734; 11.1734; 19.129
90; 90; 90
2388.2Michael R. Douglass; Charlotte L. Stern; Tobin J. Marks
Intramolecular Hydrophosphination/Cyclization of Phosphinoalkenes and Phosphinoalkynes Catalyzed by Organolanthanides: Scope, Selectivity, and Mechanism
Journal of the American Chemical Society, 2001, 123, 10221-10238
4125188 CIFCa6 Fe0.52 Li0.48 N3 Te2P 42/m8.718; 8.718; 6.719
90; 90; 90
510.7Dickman, Matthew J.; Latturner, Susan E.
Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.
Journal of the American Chemical Society, 2016
4129095 CIFC79 H44 Cu2 I2 O12 P4P 42/m13.9038; 13.9038; 17.3483
90; 90; 90
3353.7Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.
Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.
Journal of the American Chemical Society, 2019
4316679 CIFAs Cs5 P4 Se12P 42/m13.826; 13.826; 7.5173
90; 90; 90
1436.99Collin D. Morris; Mercouri G. Kanatzidis
Arsenic-Containing Chalcophosphate Molecular Anions
Inorganic Chemistry, 2010, 49, 9049-9054
4316680 CIFAs Cs5 P4 S12P 42/m13.5875; 13.5875; 7.2999
90; 90; 90
1347.71Collin D. Morris; Mercouri G. Kanatzidis
Arsenic-Containing Chalcophosphate Molecular Anions
Inorganic Chemistry, 2010, 49, 9049-9054
4508421 CIFC32 H56 Cl Mn2 N16 O12 WP 42/m12.429; 12.429; 16.976
90; 90; 90
2622.5Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi
Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties
Crystal Growth & Design, 2013, 13, 5211
7007020 CIFC12 H34.5 N10 O10.25 Pt3P 42/m15.4352; 15.4352; 12.5412
90; 90; 90
2987.9Liu, Fenghui; Chen, Wanzhi; Wang, Daqi
Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.
Dalton transactions (Cambridge, England : 2003), 2006, 3445-3453
7037105 CIFC42 H57 B2 Bi N2 O3P 42/m21.483; 21.483; 19.004
90; 90; 90
8770.7Fanfrlík, Jindřich; Sedlak, Robert; Pecina, Adam; Rulíšek, Lubomír; Dostál, Libor; Moncóľ, Ján; Růžička, Aleš; Hobza, Pavel
The non-planarity of the benzene molecule in the X-ray structure of the chelated bismuth(iii) heteroboroxine complex is not supported by quantum mechanical calculations.
Dalton transactions (Cambridge, England : 2003), 2015, 45, 462-465
7057378 CIFC10 H12 I2 O3P 42/m8.5167; 8.5167; 8.8404
90; 90; 90
641.23Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.
Competition between hydrogen bonds and halogen bonds: a structural study
New Journal of Chemistry, 2018, 42, 10539
7107102 CIFC15 H44 Br P5 WP 42/m13.476; 13.476; 14.118
90; 90; 90
2563.9Aaron Sattler; Gerard Parkin
Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)
Chem.Commun., 2011, 47, 12828
7107103 CIFC15 H44 I P5 WP 42/m13.598; 13.598; 14.392
90; 90; 90
2661.2Aaron Sattler; Gerard Parkin
Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)
Chem.Commun., 2011, 47, 12828
7109139 CIFC112 H176 Cu2 N10 O18P 42/m14.842; 14.842; 25.8161
90; 90; 90
5686.9Maria Castellano; Rafael Ruiz-Garcia; Joan Cano; Miguel Julve; Francesc Lloret; Yves Journaux; Giovanni De Munno; Donatella Armentano
Multielectron transfer in a dicopper(II) anthraquinophane
Chem.Commun., 2013, 49, 3534
7159028 CIFC136 H218 N8 O81 S8P 42/m24.7343; 24.7343; 13.8021
90; 90; 90
8443.9Zhou, Jia-Liang; Li, Yan-Hong; Zhang, Ying-Ming; Chen, Ling; Liu, Yu
Enhanced molecular binding affinity toward aromatic dications by anthracene-derived crown ethers in water.
Organic & biomolecular chemistry, 2022, 21, 107-114
7208980 CIFC7 H4 Cu2 N4 SP 42/m12.3244; 12.3244; 5.9519
90; 90; 90
904.04Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun
A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification
CrystEngComm, 2013, 15, 447
7210986 CIFC H Co N OP 42/m15.0103; 15.0103; 10.0791
90; 90; 90
2270.9Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping
Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands
CrystEngComm, 2013, 15, 9553
7211108 CIFC44 H60 Cd2 Cl4 F6 N18 S2 SiP 42/m19.522; 19.522; 33.791
90; 90; 90
12878Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.
Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon
CrystEngComm, 2013, 15, 8280

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