Crystallography Open Database

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1001024 CIFB2 Nb O6 TlP n 21 a7.82; 9.46; 7.4
90; 90; 90		547.4Gasperin, M
Synthese et structure d'un oxyde multiple d'un type nouveau: Tl Nb B~2~ O~6~
Acta Crystallographica B (24,1968-38,1982), 1974, 30, 1181-1183
1001464 CIFK O5 P VP n 21 a12.764; 10.5153; 6.3648
90; 90; 90		854.3Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B
KVPO~5~, an intersecting tunnel structure closely related to the hexagonal tungsten bronze
Acta Crystallographica C (39,1983-), 1991, 47, 1138-1141
1007237 CIFCs O4 P ZnP n 21 a9.236; 5.462; 9.342
90; 90; 90		471.3Blum, D; Durif, A; Averbuch-Pouchot, M T
Crystal structures of the three forms of Cs Zn P O4
Ferroelectrics, 1986, 69, 283-292
1008427 CIFAs Cs O5 TiP n 21 a13.486; 10.688; 6.8616
90; 90; 90		989Protas, J; Marnier, G; Boulanger, B; Menaert, B
Structure cristalline de Cs Ti O (As O~4~)
Acta Crystallographica C (39,1983-), 1989, 45, 1123-1125
1502432 CIFC57 H74 O11P n 21 a36.409; 11.5008; 12.1481
90; 90; 90		5086.8Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe
Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.
Organic letters, 2011, 13, 4818-4821
1504419 CIFC14 H18 Cl2 ZrP n 21 a6.6716; 10.4461; 21.497
90; 90; 90		1498.2Huang, Rubin; Duchateau, Robbert; Koning, Cor E.; Chadwick, John C.
Zirconocene Immobilization and Activation on MgCl2-Based Supports: Factors Affecting Ethylene Polymerization Activity
Macromolecules, 2008, 41, 579
1518116 CIFAs K O5 TiP n 21 a13.103; 10.746; 6.558
90; 90; 90		923.4El Brahimi, M.; Durand, J.
Structure et proprietes d'optique non lineaire de KTiOAsO4
Revue de Chimie Minerale, 1986, 23, 146-153
1519652 CIFC47 H59 N O5P n 21 a18.4589; 58.006; 11.59672
90; 90; 90		12416.9Slavík, Petr; Eigner, Václav; Lhoták, Pavel
Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.
Organic letters, 2015, 17, 2788-2791
1519684 CIFC12 H33 B18 N NiP n 21 a9.476; 13.16; 18.389
90; 90; 90		2293.2Schubert, David M.; Harwell, David E.; Knobler, Carolyn B.; Hawthorne, M. Frederick
Structural Characterization of Charge Transfer Complexes of the Nickel(IV) Bis(3,1,2-dicarbollyl) Sandwich Compound
Acta Chemica Scandinavica, 1999, 53, 721-730
1522289 CIFC48 H112 Al4 N4 O192 Si92P n 21 a20.072; 19.937; 13.414
90; 90; 90		5367.95Yokomori, Y.; Idaka, S.
The structure of TPA-ZSM-5 with Si/Al=23
Microporous and Mesoporous Materials, 1999, 28, 405-413
1523633 CIFCl4 H2 O2 ReP n 21 a10.834; 11.089; 5.517
90; 90; 90		662.803Frais, P.W.; Lock, C.J.L.
The preparation, physical properties, and structure of oxotetrachloroaquorhenium(VI), Re O Cl4 (O H2)
Canadian Journal of Chemistry, 1972, 50, 1811-1818
1524531 CIFCe P3 SiP n 21 a5.861; 5.712; 25.295
90; 90; 90		846.827Hayakawa, H.; Ono, S.; Sasaki, Y.; Kobayashi, A.
The crystal structure of cerium silicon triphosphide Ce Si P3
Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-), 1978, 9, 1214-1220
1525708 CIFNb O4 S3 Sm3P n 21 a6.689; 7.663; 14.216
90; 90; 90		728.681Boyer-Candalen, C.; Meerschaut, A.; Palvadeau, P.
Crystal structure determination of the new compound Sm3 Nb O4 S3
Materials Research Bulletin, 2000, 35, 1593-1601
1527734 CIFAs Li Mo O6P n 21 a9.3792; 8.9114; 4.9043
90; 90; 90		409.91Linnros, B.
The crystal structure of Li Mo O2 As O4
Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 3711-3722
1527924 CIFP4 Se5P n 21 a12.79; 11.19; 6.66
90; 90; 90		953.18Penney, G.J.; Sheldrick, G.M.
Crystal and molecular structure of tetraphosphorus pentaselenide
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1971, 1971, 245-248
1528390 CIFBa H O4 PP n 21 a14.12; 17.15; 4.59
90; 90; 90		1111.51Burley, G.
Crystal Structure of Barium Hydrogen Orthophosphate
Journal of Research of the National Bureau of Standards, Section A. Physics and Chemistry, 1958, 60, 23-27
1529921 CIFCu2 O5 Y2P n 21 a10.832; 12.491; 3.495
90; 90; 90		472.882Famery, R.; Queyroux, F.
Crystal Structure Refinement of Y2 Cu2 O5 from Single Crystal X-Ray Diffraction Data
Materials Research Bulletin, 1989, 24, 275-281
1530035 CIFBe F4 Na2P n 21 a10.181; 5.61; 4.447
90; 90; 90		253.992Guseinov, G.G.; Ilyukhin, V.V.; Belov, N.V.
The crystal structure of Na-orthofluoroberyllate Na2 Be F4 gamma
Doklady Akademii Nauk SSSR, 1965, 163, 94-96
1530519 CIFBe F4 H8 N2P n 21 a15.1048; 10.4821; 5.9101
90; 90; 90		935.746Onodera, A.; Shiozaki, Y.
X-ray study of crystal structures and phase transition in ferroelectric ammonium fluoberyllate (N H4)2 Be F4
Journal of the Physical Society of Japan, 1979, 46, 157-166
1531645 CIFBi6.2 Cu6.2 O28 P5P n 21 a11.599; 5.218; 37.541
90; 90; 90		2272.12Ketatni, E.M.; Huve, M.; Abraham, F.; Mentre, O.
Characterization of the new Bi6.2 Cu6.2 O8 (P O4)3 oxyphosphate; a disordered compound containing 2- and 3- (O (Bi, Cu)4) tetrahedra - wide polycationic ribbons
Journal of Solid State Chemistry, 2003, 172, 327-338
1531978 CIFO14 P4 U2P n 21 a11.526; 7.048; 12.807
90; 90; 90		1040.38Podor, R.; Francois, M.; Dacheux, N.
Synthesis, characterization and structure determination of the orthorhombic U2 (P O4) (P3 O10)
Journal of Solid State Chemistry, 2003, 172, 66-72
1533028 CIFNa2 O5 Si2P n 21 a8.128; 4.8322; 11.977
90; 90; 90		470.41Rakic, S.; Kahlenberg, V.; Schmidt, B.C.
Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5
Solid State Sciences, 2003, 5, 473-480
1533029 CIFK0.16 Na1.84 O5 Si2P n 21 a8.172; 4.8493; 12.078
90; 90; 90		478.633Rakic, S.; Kahlenberg, V.; Schmidt, B.C.
Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5
Solid State Sciences, 2003, 5, 473-480
1534823 CIFBi Cl3P n 21 a7.67; 9.16; 6.28
90; 90; 90		441.215Bartl, H.
Meßzeitersparnis durch Profilauswertung bei der Registrierung von Neutroneneinkristallreflexen. Die Kristallstruktur von Wismuttrichlorid, BiCl~3~
Fresenius' Zeitschrift für analytische Chemie, 1982, 312, 17-18
1534950 CIFAl F K O4 PP n 21 a12.522; 10.149; 6.226
90; 90; 90		791.236Slovokhotova, O.L.; Ilyushin, G.D.; Tsirel'son, V.G.; Triodina, N.S.; Gerr, R.G.; Dem'yanets, L.N.; Mel'nikov, O.K.
Atomic and electronic structure peculiarities of new non-linear optical crystal K Al F P O4
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1991, 32, 103-109
1537693 CIFMo4 O11P n 21 a24.4; 5.45; 6.7
90; 90; 90		890.966Asbrink, S.; Kihlborg, L.
A study of the crystal symmetry and structure of orthorhombic Mo4 O11 by least-squares techniques
Acta Chemica Scandinavica (1-27,1973-42,1988), 1964, 18, 1571-1573
1541040 CIFBr3 Ge RbP n 21 a8.129; 11.249; 7.611
90; 90; 90		695.974Thiele, G.; Rotter, H.W.; Schmidt, K.D.
Die Kristallstrukturen und Phasentransformationen von Rb Ge Br3
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 559, 7-16
1541784 CIFBi Cs2 H2 N5 O16P n 21 a26.433; 7.139; 8.044
90; 90; 90		1517.94Lazarini, F.; Leban, I.
Dicesium bismuth nitrate hydrate, Cs2 Bi (N O3)5 * H2 O
Crystal Structure Communications, 1982, 11, 653-657
1541994 CIFCl3 H17 N6 O2 RuP n 21 a11.906; 6.884; 14.171
90; 90; 90		1161.47Khodashova, T.S.
Arrangement in crystals of ruthenium nitrosopentaamminetrichloride
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1963, 4, 111-112
1542250 CIFF4 K2 O VP n 21 a7.403; 5.65; 11.443
90; 90; 90		478.626Waltersson, K.; Karlsson, B.
K2 V O F4
Crystal Structure Communications, 1978, 7, 459-462
1543068 CIFC28 H29 B F4 N2 O3P n 21 a22.69881; 21.08434; 10.5946
90; 90; 90		5070.46Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1545921 CIFO7 Th V2P n 21 a7.201; 22.771; 6.945
90; 90; 90		1138.8Launay, S.; Mahe, P.; Quarton, M.; Robert, F.
Polymorphisme et structure cristalline de ThV2O7
Journal of Solid State Chemistry, 1992, 97, 305-313
1547200 CIFC20 H16 O2P n 21 a17.5147; 33.238; 5.0184
90; 90; 90		2921.5Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit
Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.
Analytical chemistry, 2017, 89, 10625-10636
1548092 CIFC41 H91 Li N5 O4 Si3 UP n 21 a25.5519; 13.37345; 14.81292
90; 90; 90		5061.83David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
1551556 CIFC23 H15 N O3P n 21 a6.9988; 11.4808; 21.7608
90; 90; 90		1748.5RAINA, Ankit; SALIAN, Vinutha V.; NARAYANA, B.; SAROJINI, B. K.; KANT, Rajni
Crystal Structure of (2<i>E</i>)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one
X-ray Structure Analysis Online, 2018, 34, 5
1553557 CIFC25 H18 O2P n 21 a14.3717; 5.917; 21.4597
90; 90; 90		1824.88Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.
Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans
Organic Chemistry Frontiers, 2017, 4, 972
1562111 CIF
HKL		Cs8 Cu4.4 O63.6 P16 V7.6P n 21 a13.7364; 9.2666; 11.5678
90; 90; 90		1472.46Shvanskaya, Larisa; Yakubovich, Olga; Bychkov, Andrey; Shcherbakov, Vasiliy; Golovanov, Alexey; Zvereva, Elena; Volkova, Olga; Vasiliev, Alexander
A cesium copper vanadyl-diphosphate: Synthesis, crystal structure and physical properties
Journal of Solid State Chemistry, 2015, 222, 44-52
1564946 CIFC20 H14 O2P n 21 a7.03; 16.147; 11.1214
90; 90; 90		1262.4Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564947 CIFC20 H14 O2P n 21 a7.0202; 16.0775; 11.161
90; 90; 90		1259.7Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1564948 CIFC20 H14 O2P n 21 a6.9714; 16.139; 11.072
90; 90; 90		1245.7Tchoń, D.; Makal, A.
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP
IUCrJ, 2021, 8
1565761 CIFC12 H20 N2 Pb S4P n 21 a16.086; 22.565; 4.4482
90; 90; 90		1614.6Mlowe, Sixberth; Shombe, Ginena B.; Akerman, Matthew P.; Mubofu, Egid B.; O'Brien, Paul; Mashazi, Philani; Nyokong, Tebello; Revaprasadu, Neerish
Morphological influence of deposition routes on lead sulfide thin films
Inorganica Chimica Acta, 2019, 498, 119116
1570108 CIFCa2 Fe2 O5P n 21 a5.2289; 14.2548; 5.4291
90; 90; 90		404.67Kuwamura, R.; Takagi, S.; Kyono, A.
Pressure-induced phase transition of oxygen defective perovskite srebrodolskite Ca2Fe2O5 @ 12.6 GPa
Journal of Mineralogical and Petrological Sciences, 2023, 1-9
2001816 CIF
Paper		C13 H21 Cu N5 O2 SP n 21 a7.5322; 12.652; 17.985
90; 90; 90		1713.9Tahirov, T. H.; Lu, T.-H.; Luh, H.; Chung, C.-S.
Structure of [3,10-dimethyl-4,9-diaza-3,9-dodecadiene-2,11-dione dioximato(1‒)](isothiocyanato)copper(II)
Acta Crystallographica Section C, 1993, 49, 801-803
2002203 CIFCa2 Nb2 O7P n 21 a26.45699; 5.501; 7.692
90; 90; 90		1119.5Scheunemann, K; Mueller-Buschbaum, Hk
Zur Kristallstruktur von Ca2 Nb2 O7
Journal of Inorganic and Nuclear Chemistry, 1974, 36, 1965-1970
2002206 CIFBa2 Cr O4P n 21 a7.67; 5.89; 10.39
90; 90; 90		469.4Mattausch, H J; Mueller-Buschbaum, Hk
Zur Kristallstruktur von Ba2 Cr O4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1974, 407, 129-134
2007855 CIF
HKL
Paper		C22 H21 B N2P n 21 a15.096; 7.329; 16.176
90; 90; 90		1789.7Bélanger, Suzanne; Beauchamp, André L.
(1-Methylimidazole-<i>N</i>^3^)triphenylboron
Acta Crystallographica Section C, 1998, 54, IUC9800057
2008940 CIF
Paper		Al As1.6 K2 Nb1.4 O10P n 21 a13.006; 10.648; 6.619
90; 90; 90		916.65Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda
K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~
Acta Crystallographica Section C, 1999, 55, 1391-1393
2009539 CIF
Paper		C12 H9 O10 Os3 PP n 21 a15.995; 12.958; 9.732
90; 90; 90		2017.1Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.
A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands
Acta Crystallographica Section C, 1994, 50, 371-375
2009689 CIF
Paper		C3 H7 N OP n 21 a9.65; 6.33; 7.17
90; 90; 90		438Hamzaoui, F.; Baert, F.
X-ray study of static disorder in <i>N</i>-methylacetamide
Acta Crystallographica Section C, 1994, 50, 757-759
2021787 CIF
HKL
Paper		Ba4 F23 Y Zr3P n 21 a19.564; 5.397; 17.161
90; 90; 90		1812Laval, Jean-Paul; Taoudi, Abdelkrim
Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices
Acta Crystallographica Section C, 2019, 75
2100005 CIF
HKL
Paper		C6 H11 N O2P n 21 a10.8548; 9.752; 6.1152
90; 90; 90		647.331Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli
Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid
Acta Crystallographica Section B, 2005, 61, 96-102
2100787 CIF
Paper		C11 H12 N4 O2 SP n 21 a14.474; 21.953; 8.203
90; 90; 90		2606.5Caria, M. R.; Mohamed, R.
Positive indentification of two orthorhombic polymorphs of sulfamerazine (C~11~H~12~N~4~O~2~S), their thermal analyses and structural comparison
Acta Crystallographica Section B, 1992, 48, 492-498
2101103 CIF
Paper		Al28 Mn11P n 21 a14.837; 12.457; 12.505
90; 90; 90		2311.2Shi, N. C.; Li, X. Z.; Ma, Z. S.; Kuo, K. H.
Crystalline phases related to a decagonal quasicrystal. I. A single-crystal X-ray diffraction study of the orthorhombic Al~3~Mn phase
Acta Crystallographica Section B, 1994, 50, 22-30
2101607 CIF
Paper		C5 Ca Cl2 D15 N O4P n 21 a10.905; 10; 10.8
90; 90; 90		1177.7Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.
Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 1996, 52, 810-816
2105588 CIF
Paper		C5 H6 O S2P n 21 a19.513; 8.083; 4.046
90; 90; 90		638.1Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.
Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents
Acta Crystallographica Section B, 1999, 55, 963-974
2105658 CIF
Paper		Br4 Cs2 HgP n 21 a10.27; 7.946; 13.935
90; 90; 90		1137.2Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L.
Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases
Acta Crystallographica Section B, 1998, 54, 197-203
2106202 CIFCl3 O PP n 21 a9.185; 9.326; 5.749
90; 90; 90		492.455Olie, K.
The crystal structure of P O Cl3
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1459-1460
2106459 CIFF5 Fe K2P n 21 a20.39; 7.399; 12.84
90; 90; 90		1937.11Vlasse, M.; Matejka, G.; Tressaud, A.; Wanklyn, B.M.
The crystal structure of K2 Fe F5
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3377-3380
2107391 CIFCd1.3332 Na0.3333 O3.9996 V0.9999P n 21 a9.82; 7.04; 5.36
90; 90; 90		370.552Ben Amara, M.; Vlasse, M.; Olazcuaga, R.; le Flem, G.
The Crystal Structure of Cadmium Sodium Orthovanadate Cd4 Na (V O4)3
Acta Crystallographica B (24,1968-38,1982), 1979, 35, 50-52
2202287 CIF
HKL
Paper		Gd3 Nb O4 S3P n 21 a6.6451; 7.5873; 14.1809
90; 90; 90		714.98Kabbour, Houria; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain
A gadolinium and niobium oxide sulfide, Gd~3~NbS~3~O~4~
Acta Crystallographica Section E, 2003, 59, i101-i102
2202464 CIF
Paper		C14 H12 Cl N O2P n 21 a6.409; 13.062; 14.842
90; 90; 90		1242.5Savarimuthu Francis; Packianathan Thomas Muthiah; Galmari Venkatachalam; Rengan Ramesh
2-Chloro-(3-methoxysalicylidene)aniline
Acta Crystallographica Section E, 2003, 59, o1045-o1047
2208487 CIF
HKL
Paper		C10 H10 N2 O SP n 21 a7.181; 7.75; 17.994
90; 90; 90		1001.4Hökelek, Tuncer; Seferoğlu, Zeynel; Ertan, Nermin
2-Amino-4-(4-methoxyphenyl)-1,3-thiazole
Acta Crystallographica Section E, 2006, 62, o1609-o1611
2210964 CIF
Paper		C18 H21 F2 N3P n 21 a13.28; 13.02; 9.444
90; 90; 90		1632.92Latreche, Saida; Bouchemma, Ahcene; Bouacida, Sofiane; Mousser, Henia; Mousser, Abdelhamid
3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane
Acta Crystallographica Section E, 2006, 62, o4960-o4962
2213444 CIF
HKL
Paper		C21 H19 N O3P n 21 a7.6026; 14.7425; 15.6862
90; 90; 90		1758.13Abdelmalek Bouraiou; Ali Belfaitah; Sofiane Bouacida; Patricia Benard-Rocherulle; Bertrand Carboni
(<i>E</i>)-3-(2-Ethoxyquinolin-3-yl)-1-(2-hydroxy-6-methylphenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2007, 63, o2133-o2135
2215730 CIF
HKL
Paper		C17 H13 Cl N2 Ni O SP n 21 a28.717; 11.5393; 4.666
90; 90; 90		1546.2Das, Purak; Biswas, Achintesh Narayan
Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>}nickel(II)
Acta Crystallographica Section E, 2007, 63, m2740-m2740
2230219 CIF
HKL
Paper		C17 H26 OP n 21 a17.6364; 29.0183; 11.6701
90; 90; 90		5972.5Faust, Rüdiger; Nauroozi, Djawed; Bruhn, Clemens; Koch, Britta; Kuhlich, Paul; Piechotta, Christian; Nehls, Irene
(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN
Acta Crystallographica Section E, 2011, 67, o1462-o1463
2238720 CIF
Paper		C25 H32 N4 O4P n 21 a38.8025; 9.7675; 6.09571
90; 90; 90		2310.29Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet
Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane
Acta Crystallographica Section E, 2013, 69, o1669
2300267 CIFC2 D11 N O2P n 21 a12.70615; 8.84589; 4.73876
90; 90; 90		532.623Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
2300269 CIFC2 D11 N O2P n 21 a12.90413; 8.96975; 4.79198
90; 90; 90		554.656Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
4002341 CIFMn3 Na4 O15 P4P n 21 a17.991; 6.648; 10.765
90; 90; 90		1287.54Sanz, F.; Parada, C.; Rojo, J.M.; Ruiz-Valero, C.
Synthesis, structural characterization, magnetic properties, and ionic conductivity of Na4 M(II)3 (P O4)2 (P2 O7) (M(II) = Mn, Co, Ni)
Chemistry of Materials (1,1989-), 2001, 13, 1334-1340
4023908 CIFC31 H26 Cl3 N S2P n 21 a8.9981; 13.919; 21.4328
90; 90; 90		2684.34Peng Gao; Xinliang Feng; Xiaoyin Yang; Volker Enkelmann; Martin Baumgarten; Klaus Müllen
Conjugated Ladder-Type Heteroacenes Bearing Pyrrole and Thiophene Ring Units: Facile Synthesis and Characterization
Journal of Organic Chemistry, 2008, 73, 9207-9213
4024815 CIFC19 H21 N OP n 21 a8.3807; 8.5672; 21.6908
90; 90; 90		1557.38Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson
Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines
Journal of Organic Chemistry, 2009, 74, 6735-6748
4028493 CIFC13 H17 N3 OP n 21 a20.1281; 14.9938; 8.0453
90; 90; 90		2428Manman Sun; Tianshui Zhang; Weiliang Bao
FeCl3-Catalyzed Cascade Cyclization in One Pot: Synthesis of Ring-Fused Tetrahydroquinoline Derivatives from Arylamines and N-Substituted Lactams
Journal of Organic Chemistry, 2013, 78, 8155-8160
4031225 CIFCl3 H17 N6 O2 RuP n 21 a11.864; 6.878; 14.192
90; 90; 90		1158.08Bottomley, F.
Reinvestigation of the Crystal and Molecular Structures of Pentaamminenitrosylruthenium Trichloride Hydrate and trans-Tetra-amminehydroxonitrosylruthenium Dichloride
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1974, 1974, 1600-1605
4035409 CIFC17 H20 N2 O4P n 21 a13.6553; 20.2125; 11.5578
90; 90; 90		3190.04Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail
Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.
The Journal of organic chemistry, 2018, 83, 12722-12733
4036575 CIFC27 H26 OP n 21 a20.9274; 15.0038; 6.3388
90; 90; 90		1990.32Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun
o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.
The Journal of organic chemistry, 2016, 81, 2308-2319
4078113 CIFC31 H16 O9 W3P n 21 a29.188; 10.387; 9.599
90; 90; 90		2910.2Lynch, Thomas J.; Carroll, James M.; Helvenston, Merritt C.; Tisch, Theodore L.; Rheingold, Arnold L.; Staley, Donna L.; Mahmoudkhani, Amir
Trindenyl Trimolybdenum and Tritungsten Complexes: Crystal Structure of (trindenyl)[(OC)3W‒W(CO)3]W(CO)3Bn
Organometallics, 2012, 31, 3300
4079977 CIFC18 H18 Cl F3 O2 Ru SP n 21 a8.0583; 14.1389; 16.3291
90; 90; 90		1860.46Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok
Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation
Organometallics, 2013, 32, 609
4082364 CIFC24 H29 Cl F6 Ir P S2P n 21 a13.7555; 13.7861; 14.1954
90; 90; 90		2691.9Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.
(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation
Organometallics, 2014, 33, 983
4087316 CIFC20 H39 Cr F6 N3 P SbP n 21 a9.733; 10.254; 27.719
90; 90; 90		2766.4Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.
Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement
Organometallics, 2017, 36, 1227
4088701 CIFC35 H45 B F4 P RhP n 21 a21.4176; 33.1623; 9.16578
90; 90; 90		6510.06Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena
Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes
Organometallics, 2016, 35, 2793
4089221 CIFC41 H31 Cl3 Ir N3 O2P n 21 a15.5975; 12.4727; 17.9014
90; 90; 90		3482.6Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming
Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications
Organometallics, 2017, 36, 1331
4101640 CIFC53 H93 Co N5 O2 P3 ZrP n 21 a22.3571; 23.4069; 21.3354
90; 90; 90		11165Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.
Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.
Journal of the American Chemical Society, 2010, 132, 44-45
4103386 CIFC32 N8 O15 V3P n 21 a20.4563; 15.6609; 14.4447
90; 90; 90		4627.6Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos
Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms
Journal of the American Chemical Society, 2010, 132, 15277-15285
4113384 CIFC8 H14 O3P n 21 a21.185; 6.826; 5.889
90; 90; 90		851.6Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati
Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell
Journal of the American Chemical Society, 2003, 125, 34-35
4130607 CIFC18 H21 N O2P n 21 a19.4469; 9.7388; 16.3359
90; 90; 90		3093.85Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla
Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.
Journal of the American Chemical Society, 2016, 138, 13561-13567
4311137 CIFC10 H24 Br4 Cu N2P n 21 a12.09; 8.13; 18.685
90; 90; 90		1836.6Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley
Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4
Inorganic Chemistry, 2004, 43, 3804-3811
4321033 CIFC9 H18 Se3P n 21 a14.943; 5.638; 14.229
90; 90; 90		1198.8Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian-Hua Gu; Seema Mehta; B. Mario Pinto; Xue-Min Zhou
Synthesis, Characterization, and Redox Behavior of New Selenium Coronands and of Copper(I) and Copper(II) Complexes of Selenium Coronands
Inorganic Chemistry, 2000, 39, 2558-2571
4329709 CIFC9 H10 Cl N3 O2 PtP n 21 a6.9452; 10.995; 13.7541
90; 90; 90		1050.3Evangelia S. Koumousi; Marianthi Zampakou; Catherine P. Raptopoulou; Vassilis Psycharis; Christine M. Beavers; Simon J. Teat; George Psomas; Theocharis C. Stamatatos
First Palladium(II) and Platinum(II) Complexes from Employment of 2,6-Diacetylpyridine Dioxime: Synthesis, Structural and Spectroscopic Characterization, and Biological Evaluation
Inorganic Chemistry, 2012, 51, 7699-7710
4335300 CIFC47 H26 B F24 N2 O3 Re SP n 21 a16.4783; 18.237; 16.6378
90; 90; 90		4999.9Rebeca Arévalo; Julio Pérez; Lucía Riera
Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand
Inorganic Chemistry, 2013, 52, 6785-6787
4339715 CIFC20 H25 N5 Ni O7P n 21 a13.571; 14.106; 23.625
90; 90; 90		4523Paital, Alok Ranjan; Wong, Wing Tak; Aromí, Guillem; Ray, Debashis
New [LNiII2]+ complexes incorporating 2-formyl or 2,6-diformyl-4-methyl phenol as inhibitors of the hydrolysis of the ligand L3-: Ni...Ni ferromagnetic coupling and S=2 ground states.
Inorganic chemistry, 2007, 46, 5727-5733
4340712 CIFC11 H13 N3 O S4P n 21 a7.2442; 8.6309; 23.855
90; 90; 90		1491.5Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique
Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.
Inorganic chemistry, 2014, 53, 8755-8761
4343779 CIFF K O3 XeP n 21 a7.374; 6.811; 8.185
90; 90; 90		411.086Hodgson, D.J.; Ibers, J.A.
The crystal and molecular structure of potassium monofluoroxenate(VI), K Xe O3 F
Inorganic Chemistry, 1969, 8, 326-331
4349389 CIFB12 Cs H12 NaP n 21 a12.4432; 7.6628; 12.5705
90; 90; 90		1198.59Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Inorganic chemistry, 2017, 56, 5006-5016
4349392 CIFB12 Cs H12 LiP n 21 a12.405; 7.237; 12.101
90; 90; 90		1086.4Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan
Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.
Inorganic chemistry, 2017, 56, 5006-5016
4501787 CIFC8 H12 Cl N5 O3P n 21 a28.697; 15.767; 5.108
90; 90; 90		2311.2Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep
Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction
Crystal Growth & Design, 2010, 10, 3555
4510640 CIFC16 H10 Ba2 O10P n 21 a7.0587; 12.432; 19.09
90; 90; 90		1675.2Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu
Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands
Crystal Growth & Design, 2013, 13, 2965
7002885 CIFC7 H4 Eu O5 PP n 21 a20.3995; 7.06565; 5.45584
90; 90; 90		786.38Rueff, Jean-Michel; Barrier, Nicolas; Boudin, Sophie; Dorcet, Vincent; Caignaert, Vincent; Boullay, Philippe; Hix, Gary B.; Jaffrès, Paul-Alain
Remarkable thermal stability of Eu(4-phosphonobenzoate): structure investigations and luminescence properties
Dalton Transactions, 2009, 10614-10620
7030806 CIFC24 H68 N4 O76 Si36P n 21 a22.239; 14.025; 7.391
90; 90; 90		2305.3Marler, B.; Wang, Y.; Song, J.; Gies, H.
Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 10396-10416
7030808 CIFC24 H68 N4 O76 Si36P n 21 a22.281; 14; 7.383
90; 90; 90		2303Marler, B.; Wang, Y.; Song, J.; Gies, H.
Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 10396-10416

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