Crystallography Open Database

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1569909 CIFC39 H27 N3P -319.8544; 19.8544; 16.6635
90; 90; 120
5688.7Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng
Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif
Energy & Environmental Science, 2023, 16, 5231-5242
1570054 CIFO25 P6 Pb10P -39.8109; 9.8109; 14.8403
90; 90; 120
1237.06Krivovichev, Sergey V.; Engel, Günther
The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure
Crystals, 2023, 13, 1371
1570268 CIFCd5 Cl7 P2 SmP -313.35; 13.35; 7.308
90; 90; 120
1128Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>].
Chemical science, 2023, 14, 13568-13573
2002151 CIFAg2 Ba Mn O8 V2P -35.5693; 5.5693; 7.2706
90; 90; 120
195.3Rettich, R; Mueller-Buschbaum, H
Zur Kristallchemie der Silber-Mangan-Oxovanadate Ag2 Ba Mn V2 O8 und (Ag Ca2) Mn2 (V O4)3
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1998, 53, 291-295
2002226 CIFCr1.5 Mn1.5 O9 Sr3P -35.416; 5.416; 6.64
90; 90; 120
168.7Sander, K; Mueller-Buschbaum, Hk
Zur Kenntnis von Sr2 Cr Mn O6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 451, 31-34
2003387 CIF
Paper
C13 H12 S2P -321.792; 21.792; 12.566
90; 90; 120
5168Pilati, T.
Five 3,3'-Bridged 2,2'-Dithiophenes
Acta Crystallographica Section C, 1995, 51, 690-697
2003540 CIF
Paper
Ce K2 N6 O18P -313.5737; 13.5737; 6.6624
90; 90; 120
1063.06Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.
Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~
Acta Crystallographica Section C, 1995, 51, 1029-1032
2003788 CIF
Paper
C14 H36 F6 Hg O12 S8P -312.195; 12.1952; 6.713
90; 90; 120
864.6Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R.
Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR
Acta Crystallographica Section C, 1995, 51, 1547-1549
2006328 CIF
Paper
F6 H12 Mn O6 SiP -39.672; 9.672; 9.834
90; 90; 120
796.7Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji
Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning
Acta Crystallographica Section C, 1997, 53, 833-836
2008115 CIF
Paper
C42 H60 Cr N3 O3P -314.936; 14.936; 9.913
90; 90; 120
1915.2Martin, Lisandra L.; Taylor, Max R.; Bei Wu
[1,4,7-Tris(3-<i>tert</i>-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>,<i>O</i>',<i>O</i>'']chromium(III)
Acta Crystallographica Section C, 1999, 55, 41-43
2012544 CIF
HKL
Paper
C18 H24 As2 Cu F12 N12P -310.178; 10.178; 8.098
90; 90; 120
726.5Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean
A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry
Acta Crystallographica Section C, 2002, 58, m182-m185
2012545 CIF
HKL
Paper
C18 H24 Cl0.714 Cu F7.716 N12 O2.86 P1.29P -39.995; 9.995; 8.052
90; 90; 120
696.63Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean
A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry
Acta Crystallographica Section C, 2002, 58, m182-m185
2012802 CIF
HKL
Paper
C27 H24 Fe N3 O6P -314.882; 14.882; 6.4052
90; 90; 120
1228.5Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan
Tris[2-(2-oxazolin-2-yl)phenolato]iron(III)
Acta Crystallographica Section C, 2002, 58, m390-m392
2013079 CIF
HKL
Paper
C55 H45 I O Rh Sb3P -314.462; 14.462; 13.902
90; 90; 120
2518.1Otto, Stefanus; Roodt, Andreas
<i>trans</i>-Carbonyliodotris(triphenylstibine-κ<i>Sb</i>)rhodium(I)
Acta Crystallographica Section C, 2002, 58, m565-m566
2013767 CIF
HKL
Paper
C6 H11 N OP -320.983; 20.983; 7.6436
90; 90; 120
2914.5Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.
Twinning by merohedry in cyclohexanone oxime: a revised structure
Acta Crystallographica Section C, 2004, 60, o127-o129
2013768 CIF
HKL
Paper
C6 H11 N OP -320.983; 20.983; 7.621
90; 90; 120
2905.88Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.
Twinning by merohedry in cyclohexanone oxime: a revised structure
Acta Crystallographica Section C, 2004, 60, o127-o129
2015212 CIF
HKL
Paper
Co K4 Mo4 O15P -310.292; 10.292; 8.1271
90; 90; 120
745.53Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut
The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5
Acta Crystallographica Section C, 2005, 61, i111-i112
2017665 CIF
HKL
Paper
Ag2.535 Mo12 Se15 Tl2P -39.9962; 9.9962; 15.5364
90; 90; 120
1344.47Gougeon, P.; Gall, P.; Gautier, R.; Potel, M.
Ag~2.54~Tl~2~Mo~12~Se~15~: a new structure type containing Mo~6~ and Mo~9~ clusters
Acta Crystallographica Section C, 2010, 66, i67-i70
2017835 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -38.8941; 8.8941; 9.68482
90; 90; 120
663.478Lutz, Martin
Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate
Acta Crystallographica Section C, 2010, 66, m330-m335
2020184 CIFBr2 H12 Ni O14P -37.817; 7.817; 5.235
90; 90; 120
277.03Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J.
Structure of nickel(II) perbromate hexahydrate at 169K
Acta Crystallographica C (39,1983-), 1988, 44, 1345-1348
2020269 CIFMo2 O8 ThP -317.593; 17.593; 6.238
90; 90; 120
1672.07Larson, E.M.; Eller, P.G.; Cremers, T.L.; Penneman, R.A.; Herrick, C.C.
Structure of trigonal thorium molybdate
Acta Crystallographica C (39,1983-), 1989, 45, 1669-1672
2100563 CIF
Paper
C4 H10 OP -317.55; 17.55; 8.08
90; 90; 120
2155P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100564 CIF
Paper
C4 H10 OP -318.0946; 18.0946; 8.4041
90; 90; 120
2383P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O)
Acta Crystallographica Section B, 2006, 62, 599-605
2100567 CIF
Paper
C4 H10 OP -317.4389; 17.4389; 8.021
90; 90; 120
2112.5P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100568 CIF
Paper
C4 H10 OP -317.5898; 17.5898; 8.1014
90; 90; 120
2170.76P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2102131 CIF
Paper
K3 Nd O17 Si7P -316.131; 16.131; 7.175
90; 90; 120
1616.9Haile, S. M.; Wuensch, B. J.
X-ray diffraction study of K~3~NdSi~7~O~17~: a new framework silicate with a linear Si—O—Si bond
Acta Crystallographica Section B, 2000, 56, 773-779
2103212 CIF
Paper
C12 H10 B Mn N6 O3P -311.522; 11.522; 7.933
90; 90; 120
912.061Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Some 60 new space-group corrections
Acta Crystallographica Section B, 2002, 58, 62-77
2103213 CIF
Paper
C12 H10 B N6 O3 TcP -311.464; 11.464; 8.091
90; 90; 120
920.885Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Some 60 new space-group corrections
Acta Crystallographica Section B, 2002, 58, 62-77
2103343 CIF
Paper
C48 H76 Fe5 N12 O2 S18P -312.038; 12.038; 14.342
90; 90; 120
1799.9Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103344 CIF
Paper
C7 H29 B11 N2P -327.171; 27.171; 12.225
90; 90; 120
7816.11Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2105421 CIFB0.996 Na0.209 O26 P6 Sr9.402P -39.734; 9.734; 7.279
90; 90; 120
597.29Calvo, C.; Faggiani, R.; Krishnamachari, N.
The crystal structure of sodium strontium boron dioxide hexaphosphate - a deviant apatite
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 188-192
2106039 CIFH12 N6 Rb2 SnP -36.66; 6.66; 5.77
90; 90; 120
221.643Chevalier, P.; Ritsma, J.; Rouxel, J.
Structure de Rb2 Sn (N H2)6 et K2 Sn (N H2)6
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1076-1079
2106141 CIFCa O2 P2 Zn2P -35.18; 5.18; 7.67
90; 90; 120
178.232Czaya, R.
Dehydration and transformation phases of Scholzite Ca Zn2 (P O4)2 (H2 O)2
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 322-323
2106538 CIFBi2 O6 UP -34.045; 4.045; 9.9
90; 90; 120
140.282Koster, A.S.; Renaud, J.P.P.; Rieck, G.D.
The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 127-131
2106786 CIFF6 K Na ThP -36.3073; 6.3073; 7.8907
90; 90; 120
271.852Brunton, G.
The crystal structure of K Na Th F6
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1185-1187
2107217 CIFK2 O3 TeP -36.279; 6.279; 7.069
90; 90; 120
241.362Andersen, L.; Langer, V.; Stroemberg, A.; Stroemberg, D.
The structure of K2 Te O3 - an experimental and theoretical study
Acta Crystallographica B (39,1983-), 1989, 45, 344-348
2108073 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.1281; 20.1281; 8.9942
90; 90; 120
3155.72Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108074 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.255; 20.255; 9.0132
90; 90; 120
3202.4Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108075 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.3624; 20.3624; 9.0045
90; 90; 120
3233.3Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108076 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.4697; 20.4697; 9.0166
90; 90; 120
3271.9Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108077 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.688; 20.688; 9.0563
90; 90; 120
3356.7Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108078 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.0094; 20.0094; 8.8987
90; 90; 120
3085.5Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108079 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.166; 20.166; 8.9271
90; 90; 120
3144Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108080 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.243; 20.243; 8.933
90; 90; 120
3170Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108081 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.334; 20.334; 8.945
90; 90; 120
3203Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108082 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.643; 20.643; 9.015
90; 90; 120
3327Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108981 CIF
HKL
Paper
C6 H24 Co2 N6 O15P -312.3686; 12.3686; 21.1962
90; 90; 120
2808.21Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey
Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~]
Acta Crystallographica Section B, 2022, 78
2200787 CIF
HKL
Paper
C12 H36 Br7 Cd2 N3P -315.5665; 15.5665; 6.7777
90; 90; 120
1422.31Willett, Roger D.; Twamley, Brendan
Diethylammonium heptabromidedicadmium(II)
Acta Crystallographica Section E, 2001, 57, m573-m575
2203798 CIF
HKL
Paper
C18 H18 Cr F9 N4 O12 S3P -313.0562; 13.0562; 10.4754
90; 90; 120
1546.45Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio
<i>fac</i>-Triaqua[tris(2-pyridyl)amine-κ^3^<i>N</i>]chromium(III) tris(trifluoromethanesulfonate)
Acta Crystallographica Section E, 2004, 60, m854-m856
2208363 CIF
HKL
Paper
C24 H54.34 B2 F8 N6 Ni O6.17P -312.334; 12.334; 7.03
90; 90; 120
926.2Suzuki, Honoh; Ishiguro, Shin-ichi
Hexakis(<i>N</i>,<i>N</i>-dimethylacetamide)nickel(II) bis(tetrafluoroborate) 0.17-hydrate
Acta Crystallographica Section E, 2006, 62, m505-m507
2208804 CIF
HKL
Paper
C18 H13.5 B0.5 F2 Fe N3 O6P -313.564; 13.564; 6.0108
90; 90; 120
957.7Onggo, Djulia; Martak, Fatimah; Ismunandar; Yamin, Bohari M.; Ng, Seik Weng
Hemi{tris(picolinic acid-κ^2^<i>N</i>,<i>O</i>)iron(II)/tris(picolinato-κ^2^<i>N</i>,<i>O</i>)iron(II)} hemi(tetrafluoroborate)
Acta Crystallographica Section E, 2006, 62, m1112-m1113
2215413 CIF
HKL
Paper
C27 H61.2 Cu I N6 O0.6 S3P -313.5514; 13.5514; 11.4588
90; 90; 120
1822.38Islam Ullah Khan; Muhammad Mufakkar; Saeed Ahmad; Hoong-Kun Fun; Suchada Chantrapromma
Tris(<i>N</i>,<i>N</i>'-dibutylthiourea-<i>{κ</i>S})iodidocopper(I) 0.6-hydrate
Acta Crystallographica Section E, 2007, 63, m2550-m2551
2217419 CIF
HKL
Paper
C27 H42.33 N6 Nd O20P -325.5045; 25.5045; 10.0984
90; 90; 120
5688.7Derikvand, Zohreh; Aghabozorg, Hossein; Nemati, Andya; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar
Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)neodymate(III)] 15.33-hydrate
Acta Crystallographica Section E, 2008, 64, m350-m351
2223448 CIF
HKL
Paper
C27 H26 Br N O3P -318.4405; 18.4405; 11.4828
90; 90; 120
3381.6Gunasekaran, B.; Kathiravan, S.; Raghunathan, R.; Chakkaravarthi, G.; Manivannan, V.
Methyl 9-(4-bromophenyl)-8a,9,9a,10,11,12,13,14a-octahydro-8<i>H</i>-benzo[<i>f</i>]chromeno[3,4-<i>b</i>]indolizine-8a-carboxylate
Acta Crystallographica Section E, 2009, 65, o2550
2225244 CIF
HKL
Paper
C15 H3 F18 Mo O6P -318.4876; 18.4876; 11.5021
90; 90; 120
3404.6Champouret, Yohan; Poli, Rinaldo; Daran, Jean-Claude
Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')molybdenum(III)
Acta Crystallographica Section E, 2010, 66, m299-m300
2227630 CIF
HKL
Paper
C7 H9 Mg N O5P -313.9739; 13.9739; 8.1188
90; 90; 120
1372.96Yeh, Chun-Ting; Liu, Hsin-Kuan; Lin, Chia-Jing; Lin, Chia-Her
Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^2^<i>O</i>:<i>O</i>')trimagnesium(II)]
Acta Crystallographica Section E, 2010, 66, m1289
2228504 CIF
HKL
Paper
C42 H36 N6 O30 Zn3P -314.47; 14.47; 6.284
90; 90; 120
1139.5Gharagozlou, Mehrnaz; Langer, Vratislav; Nemati, Andya
Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)]
Acta Crystallographica Section E, 2010, 66, m1606-m1607
2235708 CIF
HKL
Paper
C12 H78 Cl Co5 N18 O36P -312.2138; 12.2138; 9.909
90; 90; 120
1280.15Tian, Ruijng; Yan, Yan; Zhang, Cailing; Wang, Liyan; Pan, Qinhe
Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate
Acta Crystallographica Section E, 2012, 68, m914-m915
2235825 CIF
HKL
Paper
C43.3 H36 N9.9 O26.1 Zn2.35P -314.5775; 14.5775; 6.3506
90; 90; 120
1168.7Tabatabaee, Masoumeh; Derikvand, Zohreh; Attar Gharamaleki, Jafar
Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]
Acta Crystallographica Section E, 2012, 68, m1035
2238712 CIF
Paper
C21 H27 N3 O15 Zn3P -313.8594; 13.8594; 8.01
90; 90; 120
1332.5Sim, Jaeung; Kim, Taemin; Yang, Jin Kuk
Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]
Acta Crystallographica Section E, 2013, 69, m619
2239992 CIF
HKL
Paper
C12 H27 I K N3 O3P -311.9776; 11.9776; 7.3455
90; 90; 120
912.62Comanescu, Cezar-Catalin; Oliver, Allen G.
Crystal structure of <i>catena</i>-poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide]
Acta Crystallographica Section E, 2014, 70, 196-198
2240231 CIF
HKL
Paper
C12 H24 I Li O3P -310.253; 10.253; 8.425
90; 90; 120
767Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus
About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs
Acta Crystallographica Section E, 2014, 70, 555-558
2241548 CIF
HKL
Paper
C168 H141 Ag3 N O6 P9P -319.0095; 19.0095; 31.9862
90; 90; 120
10010Noll, Julian; Korb, Marcus; Lang, Heinrich
Crystal structure of bis[tetrakis(triphenylphosphane-κ<i>P</i>)silver(I)] (nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-κ<i>P</i>)argentate(I) with an unknown amount of methanol as solvate
Acta Crystallographica Section E, 2016, 72, 318-321
2310068 CIFAg1.5 Zn1.5P -37.636; 7.636; 2.8197
90; 90; 120
142.385Qurashi, M.M.; Edmunds, I.G.
The structure of the zeta phase in the silver-zinc system
Acta Crystallographica (1,1948-23,1967), 1951, 4, 417-427
2310811 CIFO8 U3P -36.815; 6.815; 4.136
90; 90; 120
166.358Siegel, S.
The crystal structure of trigonal U3 O8
Acta Crystallographica (1,1948-23,1967), 1955, 8, 617-619
2311717 CIF
Paper
Cu3.311 SiP -356.98; 56.98; 44.055
90; 90; 120
123871Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš
Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 767-774
3000325 On hold until 2022-05-10C29 H28 Fe0.667 O8 P4P -324.3521; 24.3521; 9.4964
90; 90; 120
4877.11Matous Kloda; Jan Hynek; Petr Brazda; Tomas Plechacek; Petr Chalupsky; Jan Rohlicek; Jan Demel
Phosphinate MOF formed from tetratopic ligands as high proton conductivity materials
To be published in Journal of Materials Chemistry A
3000326 On hold until 2022-05-10C38 H40 Fe0.667 O8 P4P -327.8429; 27.8429; 9.047
90; 90; 120
6073.85Matous Kloda; Jan Hynek; Petr Brazda; Tomas Plechacek; Petr Chalupsky; Jan Rohlicek; Jan Demel
Phosphinate MOF formed from tetratopic ligands as high proton conductivity materials
To be published in Journal of Materials Chemistry A
4002544 CIFC60 H17.16 N5.72 Na2P -317.227; 17.227; 10.5
90; 90; 120
2698.6Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D.
Cation-site and anion charge ordering in body-centered cubic-packedfullerides with complex counterions
Chemistry of Materials (1,1989-), 2003, 15, 1497-1504
4002748 CIFC19 H12 N4 Ni O6P -316.657; 16.657; 13.173
90; 90; 120
3165.3Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo
Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks
Chemistry of Materials, 2017, 29, 3899
4002869 CIFAg11.86 Se7 Tl2P -318.9153; 18.9153; 4.3783
90; 90; 120
1356.6Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger
Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity
Chemistry of Materials, 2017, 29, 9565
4023257 CIFC24 H48 N12 O6P -313.6249; 13.6249; 11.3765
90; 90; 120
1829Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel
Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides
Journal of Organic Chemistry, 2008, 73, 1306-1310
4024182 CIFC80 H100.17 F12 N2 O17.08 P2P -329.938; 29.938; 17.0369
90; 90; 120
13224Tao Han; Chuan-Feng Chen
Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes
Journal of Organic Chemistry, 2007, 72, 7287-7293
4026930 CIFC71 H57 Br3 N6 O6P -318.0254; 18.0254; 11.0413
90; 90; 120
3106.9Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser
Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis
Journal of Organic Chemistry, 2012, 77, 1435-1448
4026932 CIFC71 H57 Cl3 N6 O6P -317.9406; 17.9406; 10.8992
90; 90; 120
3038.1Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser
Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis
Journal of Organic Chemistry, 2012, 77, 1435-1448
4026933 CIFC74 H66 N6 O6P -317.9054; 17.9054; 11.0374
90; 90; 120
3064.5Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser
Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis
Journal of Organic Chemistry, 2012, 77, 1435-1448
4026934 CIFC70.5 H57 Cl3 N6 O6P -317.6734; 17.6734; 11.0022
90; 90; 120
2976.12Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser
Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis
Journal of Organic Chemistry, 2012, 77, 1435-1448
4026981 CIFC45 H39 I3 N5 O9P -315.4491; 15.4491; 11.464
90; 90; 120
2369.6Ashutosh S. Singh; Shih-Sheng Sun
Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality
Journal of Organic Chemistry, 2012, 77, 1880-1890
4026982 CIFC45 H39 Cl3 N5 O9P -315.421; 15.421; 11.4661
90; 90; 120
2361.4Ashutosh S. Singh; Shih-Sheng Sun
Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality
Journal of Organic Chemistry, 2012, 77, 1880-1890
4026983 CIFC92 H78 Br6 Cl1.98 N10 O18P -315.3378; 15.3378; 11.3656
90; 90; 120
2315.52Ashutosh S. Singh; Shih-Sheng Sun
Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality
Journal of Organic Chemistry, 2012, 77, 1880-1890
4027732 CIFC22 H24 Cl N3 O4P -312.885; 12.885; 7.477
90; 90; 120
1075Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami
Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes
Journal of Organic Chemistry, 2012, 77, 10249-10259
4027916 CIFC30 H30 O4.5P -311.9712; 11.9712; 9.9653
90; 90; 120
1236.8Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck
C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes
Journal of Organic Chemistry, 2013, 78, 1062-1069
4027917 CIFC H OP -312.0399; 12.0399; 9.8716
90; 90; 120
1239.26Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck
C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes
Journal of Organic Chemistry, 2013, 78, 1062-1069
4027918 CIFC20 H20 O2.67P -311.9; 11.9; 9.9832
90; 90; 120
1224.32Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck
C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes
Journal of Organic Chemistry, 2013, 78, 1062-1069
4030181 CIFCs O8 P2 SbP -34.8246; 4.8246; 9.226
90; 90; 120
185.98Oyetola, S.; Verbaere, A.; Piffard, Y.; Tournoux, M.
The layered compounds AM(V)(PO4)2 (A = K, Rb, Cs and M = Sb, Nb, Ta)
European Journal of Solid State and Inorganic Chemistry, 1988, 25, 259-278
4030842 CIFCu1.5 Na S2 V0.5P -33.862; 3.862; 6.822
90; 90; 120
88.12Mujica, C.; Llanos, J.; Carvajal, G.; Wittke, O.
Synthesis and crystal structure of Na2Cu3VS4
European Journal of Solid State and Inorganic Chemistry, 1996, 33, 987-992
4030912 CIFC12 H66 Fe8 N6 O62 P14P -313.495; 13.495; 9.396
90; 90; 120
1481.9Korzenski, M. B.; Schimek, G. L.; Kolis, J. W.
Hydrothermal synthesis and structural determination of a three-dimensional microporous iron(III)phosphate [H~3~N(CH~2~)~4~NH~3~]~3~[Fe~8~(HPO~4~)~12~(PO~4~)~2~(H~2~O)~6~]
European Journal of Solid State and Inorganic Chemistry, 1998, 35, 143-160
4031160 CIFBi2.34 La0.33 O5 U0.33P -34.01395; 4.01395; 9.5423
90; 90; 120
133.146Amarilla, J.M.; Alonso, J.A.; Rojas, R.M.
Structural study of the trigonal Bi2.34 U0.33 La0.33 O5 oxide ion conductor: Rietveld refinement of X-ray and neutron powder diffraction data
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1999, 1999, 1137-1141
4031231 CIFC6 H6 Br8 Fe3 N6P -310.59; 10.59; 6.56
90; 90; 120
637.128Constant, G.; Daran, J.C.; Jeannin, Y.P.
Etude structurale du tetrabromoferrate(III) d'hexaformonitrilefer(II)
Journal of Inorganic and Nuclear Chemistry, 1973, 35, 4093-4102
4031319 CIFC22 H24 N2 O4.4P -315.8651; 15.8651; 15.0224
90; 90; 120
3274.58Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi
Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.
The Journal of organic chemistry, 2015, 80, 7824-7829
4031634 CIFCr Cs3 N6 O18P -314.604; 14.604; 13.667
90; 90; 120
2524.34Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I.
Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii), 2002, 47, 1845-1852
4033232 CIFC27 H21 B S2P -322.1776; 22.1776; 7.4995
90; 90; 120
3194.42Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.
Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.
The Journal of organic chemistry, 2017, 82, 13440-13448
4033655 CIFC77 H41 Cl15 F12P -319.8149; 19.8149; 13.6041
90; 90; 120
4625.8Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh
Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.
The Journal of organic chemistry, 2019
4034235 CIFC57 H57 F18 N8 P3P -314.3935; 14.3935; 17.2887
90; 90; 120
3101.9Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria
Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.
The Journal of organic chemistry, 2019, 84, 4221-4228
4034236 CIFC57 H57 F18 N8 P3P -314.654; 14.654; 17.5993
90; 90; 120
3272.9Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria
Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.
The Journal of organic chemistry, 2019, 84, 4221-4228
4036590 CIFC174 H252 B18 N18 O3P -317.377; 17.377; 17.411
90; 90; 120
4553.1Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki
Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.
The Journal of organic chemistry, 2016, 81, 2399-2404
4060681 CIFC114 H102 Ir6 Mo6 O24P -326.2521; 26.2521; 33.2008
90; 90; 120
19815.6Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey
Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups
Organometallics, 2003, 22, 284-301
4061625 CIFC22 H32 B N6 O0.5 Ru S3P -314.7149; 14.7149; 10.1605
90; 90; 120
1905.29Seah Ling Kuan, Weng Kee Leong; Lai Yoong Goh, Richard D. Webster
Redox Dependent Isomerization of Organometallic RuII/RuIII Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand. An Electrochemical Square Scheme Mechanism.
Organometallics, 2005
4063825 CIFC29 H36 Cl Cr N2 OP -320.603; 20.603; 11.6729
90; 90; 120
4291.1Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.
Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes
Organometallics, 2011, 30, 603
4064533 CIFC12 H10 B Mn N6 O3P -311.3823; 11.3823; 7.8487
90; 90; 120
880.62Swennenhuis, Bert H. G.; Poland, Ross; DeYonker, Nathan J.; Webster, Charles Edwin; Darensbourg, Donald J.; Bengali, Ashfaq A.
Ligand Displacement from TpMn(CO)2L Complexes: A Large Rate Enhancement in Comparison to the CpMn(CO)2L Analogues
Organometallics, 2011, 30, 3054

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