Crystallography Open Database

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1001389 CIFCl4 Rb2 ZnP 21 c n7.23; 12.608; 9.199
90; 90; 90		838.5Hedoux, A; Grebille, D; Jaud, J; Godefroy, G
Structural study of the incommensurate and lock-in phases of Rb~2~ Zn Cl~4~
Acta Crystallographica B (39,1983-), 1989, 45, 370-378
1100915 CIFC15 H22 O3P 21 c n11.891; 11.954; 9.387
90; 90; 90		1334Mario Nardelli
1503259 CIFC20 H16 O2P 21 c n6.3338; 12.6452; 19.4647
90; 90; 90		1558.97Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique
Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates.
Organic letters, 2010, 12, 4904-4907
1511498 CIFB4 O12 Pr2 Sr3P 21 c n16.45; 8.81; 7.37
90; 90; 90		1068.09Kuznetsov, V.G.; Moruga, L.G.; Palkina, K.K.
Crystal Structure of Pr2 Sr3 (B O3)4
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1973, 14, 1053-1057
1529527 CIFBi4 Cl Nb O8P 21 c n5.493; 5.496; 28.75
90; 90; 90		867.949Ackerman, J.F.
The structures of Bi3 Pb W O8 Cl and Bi4 Nb O8 Cl and the evolution of the Bipox structure series
Journal of Solid State Chemistry, 1986, 62, 92-104
1535819 CIFCa1.65 O4 Si Sr0.35P 21 c n5.566; 9.355; 20.569
90; 90; 90		1071.03Udagawa, S.; Urabe, K.; Takada, K.; Yano, T.; Natsume, M.
Studies on the dusting of calcium silicate ( Ca2 Si O4 ). The crystal structure of alfa'(l)-Ca2 Si O4
Semento Hijutsu Nempo, 1979, 33, 35-38
1540823 CIFH4 K N4 O14 TbP 21 c n7.966; 11.571; 12.694
90; 90; 90		1170.06Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G.
Synthesis and x-ray structural investigation of potassium terbium nitrate K (Tb (N O3)4 (H2 O)2)
Kristallografiya, 1989, 34, 1434-1437
1548484 CIFC49 H36 F6 Mn2 N4 O10 S2P 21 c n6.613; 25.081; 30.74
90; 90; 90		5099Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita
Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex
Scientific Reports, 2016, 6, 23785
1548485 CIFC53 H52 F6 Mn2 N4 O12 S2P 21 c n6.5329; 26.757; 30.62
90; 90; 90		5352.4Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita
Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex
Scientific Reports, 2016, 6, 23785
1556963 CIFC27 H37 Cl2 Cu N7 O8P 21 c n10.175; 15.191; 20.79
90; 90; 90		3213.5Bu, Xian-He; Chen, Wei; Fang, Ya-Yin; Lu, Shou-Liang; Wang, Chang-Feng; Zhang, Ruo-Hua
Synthesis and Crystal Structure of the Copper(II) Complex of 1-Methyl-4,7,10-(2-pyridylmethyl)-1,4,7,10-tetraazacyclododecane (L), [CuL]2+
Acta Chemica Scandinavica, 1998, 52, 813-815
1562259 CIFC11 H17 La N2 O9P 21 c n8.0661; 9.9778; 18.2647
90; 90; 90		1469.98Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui
Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties
Journal of Solid State Chemistry, 2014, 219, 265-273
1562260 CIFC11 H17 Ce N2 O9P 21 c n8.0126; 9.9537; 18.2413
90; 90; 90		1454.84Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui
Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties
Journal of Solid State Chemistry, 2014, 219, 265-273
1562261 CIFC11 H17 N2 O9 PrP 21 c n7.9823; 9.9452; 18.2128
90; 90; 90		1445.83Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui
Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties
Journal of Solid State Chemistry, 2014, 219, 265-273
1562262 CIFC11 H17 N2 Nd O9P 21 c n7.9419; 9.9173; 18.1495
90; 90; 90		1429.49Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui
Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties
Journal of Solid State Chemistry, 2014, 219, 265-273
2001183 CIF
Paper		C16 H17 N O3 SP 21 c n7.2214; 8.0172; 26.288
90; 90; 90		1522Ferguson, G.; Gallagher, J. F.; Maguire, A. R.; Spalding, T. R.; Peters, G.; Morris, J. R.
Structure of 1-(3-butynyl)pyridinium <i>p</i>-toluenesulfonate
Acta Crystallographica Section C, 1993, 49, 2160-2162
2003213 CIFC36 H48 Cl5 N2 P2 ReP 21 c n9.197; 17.323; 25.841
90; 90; 90		4117Masciocchi, Norberto; Moret, Massimo; Ardizzoia, G. Attilio; La Monica, Girolamo
[ReCl~3~(C~8~H~11~P)~2~(C~7~H~11~N)~2~].C~6~H~4~Cl~2~
Acta Crystallographica, Section C: Crystal Structure Communications, 1995, 51, 201-203
2003330 CIF
Paper		C9 H11 N3 O6P 21 c n7.169; 10.875; 13.842
90; 90; 90		1079.2George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.
3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~
Acta Crystallographica Section C, 1995, 51, 703-706
2004862 CIF
Paper		C6 H8 O3P 21 c n4.922; 7.7525; 16.3663
90; 90; 90		624.5Glidewell, C.; Zakaria, C. M.; Ferguson, G.
Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)
Acta Crystallographica Section C, 1996, 52, 1305-1309
2009633 CIF
Paper		C15 H22 O3P 21 c n11.902; 11.952; 9.38
90; 90; 90		1334Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.
Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives
Acta Crystallographica, Section C: Crystal Structure Communications, 1994, 50, 569-574
2101209 CIF
Paper		C16 H22 OP 21 c n7.476; 13.093; 14.492
90; 90; 90		1418.5De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk
Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid
Acta Crystallographica Section B, 1994, 50, 607-616
2104219 CIF
Paper		C7 H14 I N5 S2P 21 c n14.86; 11.291; 8.307
90; 90; 90		1393.8Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J.
Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide ‒ a new ferroelectric inclusion compound
Acta Crystallographica Section B, 2008, 64, 567-572
2106497 CIFH3 N O4P 21 c n5.4647; 8.6439; 6.2308
90; 90; 90		294.32Delaplane, R.G.; Taesler, I.; Olovsson, I.
Hydrogen bond studies. XCIII. Oxonium ion in nitric acid monohydrate
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1486-1489
2106903 CIFH4 Li N O4 SP 21 c n5.28; 9.14; 8.786
90; 90; 90		424.005Dollase, W. A.
N H4 Li S O4: A variant of the general tridymite structure
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2298-2302
2208749 CIF
Paper		C30 H28 N2P 21 c n8.1412; 17.2919; 16.434
90; 90; 90		2313.5Asker, Erol; Masnovi, John
Bis(9-ethylcarbazol-3-yl)ethane
Acta Crystallographica Section E, 2006, 62, o1213-o1215
2237269 CIF
HKL
Paper		C34 H28 F12 N8 P2 RuP 21 c n13.0943; 14.573; 19.9366
90; 90; 90		3804.37Camilo, Mariana R.; Martins, Felipe T.; Malta, Valéria R. S.; Ellena, Javier; Carlos, Rose M.
<i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine-κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate)
Acta Crystallographica Section E, 2013, 69, m75-m76
2310404 CIFBa H12 O9 SiP 21 c n8.43; 12.96; 15.01
90; 90; 90		1639.89Hoehne, E.; Dornberger-Schiff, K.
Die Kristallstruktur des wasserhaltigen Bariumsilikats Ba O Si O2 (H2 O)6
Acta Crystallographica (1,1948-23,1967), 1961, 14, 1298-1298
4000694 CIFC7 H14 I N5 S2P 21 c n14.869; 11.312; 8.305
90; 90; 90		1396.89Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman
Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR
Chemistry of Material, 2000, 12, 3561-3569
4000699 CIFC7 H14 Br N5 S2P 21 c n14.431; 10.984; 8.291
90; 90; 90		1314.2Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman
Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR
Chemistry of Material, 2000, 12, 3561-3569
4031451 CIFD I11 Nb6P 21 c n11.328; 15.495; 13.465
90; 90; 90		2363.48Fitch, A.N.; Barrett, S.A.; Fender, B.E.F.; Simon, A.
Nb6 I11, D Nb6 I11 and H Nb6 I11. A powdered neutron diffraction inelastic scattering study
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1984, 1984, 501-505
4032042 CIFC25 H17 N3P 21 c n6.011; 9.5419; 31.23
90; 90; 90		1791.2Ion, Adrian E.; Cristian, Liliana; Voicescu, Mariana; Bangesh, Masroor; Madalan, Augustin M.; Bala, Daniela; Mihailciuc, Constantin; Nica, Simona
Synthesis and properties of fluorescent 4'-azulenyl-functionalized 2,2':6',2″-terpyridines.
Beilstein journal of organic chemistry, 2016, 12, 1812-1825
4062661 CIFC12 H19 Al Cl2 N2 O2P 21 c n8.528; 10.19; 18.087
90; 90; 90		1571.8Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard
Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.
Organometallics, 2004
4062979 CIFC21 H12 B Cr F4 Mn O7P 21 c n12.338; 12.704; 14.557
90; 90; 90		2281.8Schouteeten, Stéphanie; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Auffrant, Audrey; Stephenson, G. Richard
Cationic (η6-Arene)tricarbonylmanganese Linked to Neutral (η6-Arene)tricarbonylchromium Complexes
Organometallics, 2004, 23, 4308-4316
4071090 CIFC25 H31 F6 Fe N2 P PdP 21 c n11.248; 12.039; 19.803
90; 90; 90		2682Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida
Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}
Organometallics, 2008, 27, 4288
4082924 CIFC16 H10 Mn N3 O3P 21 c n33.3395; 5.9474; 14.4477
90; 90; 90		2864.74Day, David P.; Dann, Thomas; Hughes, David. L.; Oganesyan, Vasily S.; Steverding, Dietmar; Wildgoose, Gregory G.
Cymantrene‒Triazole “Click” Products: Structural Characterization and Electrochemical Properties
Organometallics, 2014, 33, 4687
4086896 CIFC64 H102 Se2 Si4 Ti2P 21 c n15.3428; 17.1917; 24.7797
90; 90; 90		6536.1Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.
Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds
Organometallics, 2016
4089201 CIFC38 H45 Fe N P2P 21 c n10.1047; 16.3099; 19.7871
90; 90; 90		3261Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation
Organometallics, 2017, 36, 1238
4103862 CIFC68 H78 N2 O2 P2 RuP 21 c n11.753; 12.48; 39.072
90; 90; 90		5730.98Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey
Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes
Journal of the American Chemical Society, 2009, 131, 1847-1861
4103863 CIFC68 H76 N2 O2 P2 RuP 21 c n11.601; 12.606; 39.35
90; 90; 90		5754.63Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey
Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes
Journal of the American Chemical Society, 2009, 131, 1847-1861
4124584 CIFC18 H15 Ca Fe2 N5 O8P 21 c n16.0633; 16.3836; 19.0298
90; 90; 90		5008.16Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip
Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.
Journal of the American Chemical Society, 2015, 137, 12352-12368
4301327 CIFC4 H13 Bi I5 N SP 21 c n8.4752; 12.6137; 16.385
90; 90; 90		1751.6Nicolas Louvain; Nicolas Mercier; Florent Boucher
α- to β-(dmes)BiI5 (dmes = Dimethyl(2-ethylammonium)sulfonium Dication): Umbrella Reversal of Sulfonium in the Solid State and Short I...I Interchain Contacts-Crystal Structures, Optical Properties, and Theoretical Investigations of 1D Iodobismuthates
Inorganic Chemistry, 2009, 48, 879-888
4308346 CIFC12 H12 Cl4 Hg2 N2 SP 21 c n8.9643; 12.3703; 15.646
90; 90; 90		1735Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher
Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide
Inorganic Chemistry, 2005, 44, 27-39
4313187 CIFC29 H31 N O2 P2P 21 c n8.468; 15.126; 20.262
90; 90; 90		2595.3Srinivasan Priya; Maravanji S. Balakrishna; Joel T. Mague; Shaikh M. Mobin
Insertion of Carbon Fragments into P(III)-N Bonds in Aminophosphines and Aminobis(phosphines): Synthesis, Reactivity, and Coordination Chemistry of Resulting Phosphine Oxide Derivatives. Crystal and Molecular Structures of (Ph2P(O)CH2)2NR (R = Me,nPr,nBu), Ph2P(O)CH(OH)nPr, and cis-[MoO2Cl2{(Ph2P(O)CH2)2NEt-κO,κO}]
Inorganic Chemistry, 2003, 42, 1272-1281
4320948 CIFC26 H32 N2 O2 P Re SP 21 c n11.806; 10.067; 21.332
90; 90; 90		2535.3Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis
Synthesis and Characterization of Six-Coordinate "3 + 2" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations
Inorganic Chemistry, 2000, 39, 2178-2184
4329658 CIFC120 H188.5 Cu8 Mn12 N24 O137.5P 21 c n14.47; 18.537; 37.982
90; 90; 90		10188Jesús Ferrando-Soria; Thais Grancha; Jorge Pasán; Catalina Ruiz-Pérez; Laura Cañadillas-Delgado; Yves Journaux; Miguel Julve; Joan Cano; Francesc Lloret; Emilio Pardo
Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders
Inorganic Chemistry, 2012, 51, 7019-7021
4343088 CIFCa O4 TeP 21 c n14.78549; 6.79194; 8.06261
90; 90; 90		809.665Poupon, Morgane; Barrier, Nicolas; Petit, Sebastien; Clevers, Simon; Dupray, Valerie
Hydrothermal Synthesis and Dehydration of CaTeO3(H2O): An Original Route to Generate New CaTeO3 Polymorphs.
Inorganic chemistry, 2015, 54, 5660-5670
4515858 CIFC40 H40 B N S2P 21 c n8.0507; 16.79; 25.3603
90; 90; 90		3428Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua
Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.
ACS omega, 2018, 3, 12730-12736
6000545 CIFD6 K O9 P UP 21 c n6.9931; 6.9733; 17.6113
90; 90; 90		858.81Cole, M.; Fitch, A. N.; Prince, E.
Low-temperature structure of KUO2PO4.3D2O determined from combined synchrotron radiation and neutron powder diffraction measurements
Journal of Materials Chemistry, 1993, 3, 519-522
7000082 CIFC20 H32 F6 N3 Ni O3 PP 21 c n8.334; 15.805; 18.376
90; 90; 90		2420.5Santana, M. Dolores; Lozano, A. Abel; Garcia, Gabriel; Lopez, Gregorio; Perez, Jose
Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies.
Dalton transactions (Cambridge, England : 2003), 2005, 104-109
7010818 CIFC27 H26 Cl2 N2 O P2 PtP 21 c n10.0447; 14.4768; 18.5427
90; 90; 90		2696.4Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek
The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas
Journal of the Chemical Society, Dalton Transactions, 2001, 2724
7012698 CIFC13 H12 Mn N2 O5P 21 c n7.254; 7.727; 24.413
90; 90; 90		1368.4Yolanda Rodríguez-Martín; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
Crystal structures and magnetic properties of two- and three-dimensional malonato-bridged manganese(II) complexes
Dalton Trans., 2003, 2359-2365

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