Crystallography Open Database

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1513714 CIFC33 H52 Cl3 Cu6 N13 O6R -3 :H19.873; 19.873; 9.9681
90; 90; 120
3409.34Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio
Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure
Chemical Science, 2014, 5, 324
1513715 CIFC30 H48 Cu6 N12 O6R -3 :H20.1726; 20.1726; 10.1341
90; 90; 120
3571.4Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio
Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure
Chemical Science, 2014, 5, 324
1513716 CIFC30 H48 Cu6 N12 O6R -3 :H19.8969; 19.8969; 9.9518
90; 90; 120
3411.95Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio
Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure
Chemical Science, 2014, 5, 324
1513806 CIFC8 H24 O12 Si8R -3 :H12.4443; 12.4443; 13.0384
90; 90; 120
1748.62Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513807 CIFC8 H24 O12 Si8R -3 :H12.3948; 12.3948; 12.8871
90; 90; 120
1714.61Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513808 CIFC8 H24 O12 Si8R -3 :H12.4109; 12.4109; 12.99059
90; 90; 120
1732.87Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513809 CIFC8 H24 O12 Si8R -3 :H12.3959; 12.3959; 12.9208
90; 90; 120
1719.4Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513810 CIFC8 H24 O12 Si8R -3 :H12.5077; 12.5077; 13.0995
90; 90; 120
1774.76Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1514235 CIFMn2 O3R -3 :H10.3043; 10.3043; 25.7688
90; 90; 120
2369.53Ovsyannikov, Sergey V.; Abakumov, Artem M.; Tsirlin, Alexander A.; Schnelle, Walter; Egoavil, Ricardo; Verbeeck, Jo; Van Tendeloo, Gustaaf; Glazyrin, Konstantin V.; Hanfland, Michael; Dubrovinsky, Leonid
Perovskite-like Mn2 O3: a path to new manganites
Angewandte Chemie. International Edition, 2013, 52, 1494-1498
1515192 CIFC8 H10 N12 O ZnR -3 :H23.862; 23.862; 14.686
90; 90; 120
7241.8Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian
N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery
Chemical Science, 2012, 3, 2114
1515258 CIFC169.5 H273 Mn7 N18 O37.5R -3 :H32.152; 32.152; 31.611
90; 90; 120
28300Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten
Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet
Chemical Science, 2012, 3, 2868
1515519 CIFC104 H70R -3 :H22.054; 22.054; 13.223
90; 90; 120
5569.7Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian
Vapochromic and semiconducting solids of a bifunctional hydrocarbon
Chemical Science, 2011, 2, 2402
1515563 CIFC105 H138 N3 Na Nb O9 PR -3 :H17.736; 17.736; 51.913
90; 90; 120
14142Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.
A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes
Chemical Science, 2011, 2, 2166
1515586 CIFC45 H62 Li N3 O3 TiR -3 :H30.849; 30.849; 23.5478
90; 90; 120
19407.2Silvia, Jared S.; Cummins, Christopher C.
Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium
Chemical Science, 2011, 2, 1474
1515639 CIFC132 H126 In8 N84 O39.67R -3 :H28.1055; 28.1055; 19.1669
90; 90; 120
13111.9Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed
Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study
Chemical Science, 2011, 2, 1695
1515770 CIFC21 H34 B Cl3 Ga2 N6 S3R -3 :H15.7834; 15.7834; 21.1015
90; 90; 120
4552.4Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard
Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment
Chemical Science, 2010, 1, 210
1516564 CIFC20 H15 F5 N2 O3R -3 :H24.8585; 24.8585; 16.8633
90; 90; 120
9024.5Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter
Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427
1516842 CIFC90 H72 Cl6 Cu3 N18 O13.5R -3 :H27.3168; 27.3168; 49.6611
90; 90; 120
32092.7Kuldeep Mahiya; Pavan Mathur
Morphology dependant oxidation of aromatic alcohols by new symmetrical copper(II) metallatriangles formed by self-assembly of a shared bis-benzimidazolyl diamide ligand
Inorganica Chimica Acta, 2013, 399, 36-44
1517451 CIFC16 H15.33 N O4.17 SR -3 :H27.829; 27.829; 10.1784
90; 90; 120
6826.6Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517465 CIFC4.35 H Fe O3.7R -3 :H26.0349; 26.0349; 6.85076
90; 90; 120
4021.44Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517466 CIFC4.62 H Co O4.25R -3 :H25.8977; 25.8977; 6.846
90; 90; 120
3976.4Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517467 CIFC4.34 H Cu O3.68R -3 :H25.8582; 25.8582; 6.26149
90; 90; 120
3625.81Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517468 CIFC4.54 H Mn O4.07R -3 :H26.3262; 26.3262; 7.044
90; 90; 120
4227.9Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517469 CIFC4.53 H O4.07 ZnR -3 :H25.914; 25.914; 6.7986
90; 90; 120
3953.8Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517470 CIFC4 H Co O3R -3 :H25.9067; 25.9067; 6.8548
90; 90; 120
3984.3Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517471 CIFC4 H Cu O3R -3 :H25.8733; 25.8733; 6.25768
90; 90; 120
3627.84Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517472 CIFC4 H Fe O3R -3 :H26.0983; 26.0983; 6.85119
90; 90; 120
4041.3Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517473 CIFC4 H Mn O3R -3 :H26.3331; 26.3331; 7.0477
90; 90; 120
4232.4Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517474 CIFC4 H O3 ZnR -3 :H25.9292; 25.9292; 6.7962
90; 90; 120
3957.1Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517475 CIFC4.82 H Mg O4.65R -3 :H25.8728; 25.8728; 6.87004
90; 90; 120
3982.7Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517476 CIFC5.26 H Fe O5.53R -3 :H26.001; 26.001; 6.86071
90; 90; 120
4016.8Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517477 CIFC5.5 H Co O6.01R -3 :H25.8735; 25.8735; 6.8486
90; 90; 120
3970.5Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517478 CIFC5.29 H O5.57 ZnR -3 :H25.8504; 25.8504; 6.8072
90; 90; 120
3939.4Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517479 CIFC5.14 Cu O5.27R -3 :H25.89776; 25.89776; 6.27846
90; 90; 120
3646.77Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517480 CIFC10.94 H2 Co2 O11.88R -3 :H25.994; 25.994; 6.8127
90; 90; 120
3986.5Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517481 CIFC4.77 H Fe O4.54R -3 :H26.0818; 26.0818; 6.8783
90; 90; 120
4052.2Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517482 CIFC4.62 H O4.25 ZnR -3 :H25.887; 25.887; 6.821
90; 90; 120
3958.6Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
Chem. Sci., 2014, 5, 4569
1517795 CIFC2 Ca Mg O6R -3 :H4.805; 4.805; 16.015
90; 90; 120
320.2Reeder, R.J.; Wenk, H.R.
Structure refinement of some thermally disordered dolomites
American Mineralogist, 1983, 68, 769-776
1517796 CIFC2 Ca Mg O6R -3 :H4.808; 4.808; 16.022
90; 90; 120
320.76Effenberger, H.; Kirfel, A.; Will, G.
Untersuchungen zur Elektronendichteverteilung im Dolomit Ca Mg (C O3)2
TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-), 1983, 31, 151-164
1517797 CIFC2 Ca Mg O6R -3 :H4.795; 4.795; 15.87
90; 90; 120
315.998Wasastjerna, J.A.
Crystal structure of dolomite
Societas Scientiarum Fennica. Commentationes Physicomathematicae II, 1925, 2, 1-14
1518520 CIFC168 H168 Au8 O46 P8 Si W12R -3 :H20.478; 20.478; 36.726
90; 90; 120
13338Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji
Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes
Inorganics, 2014, 2, 660
1518521 CIFC168 H168 Au8 Mo12 O46 P8 SiR -3 :H20.3813; 20.3813; 36.679
90; 90; 120
13195.1Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji
Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes
Inorganics, 2014, 2, 660
1518533 CIFC90 H72 Ag12 F18 N6 O12 S6R -3 :H23.9571; 23.9571; 16.5415
90; 90; 120
8221.9Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W.
A thermochromic silver nanocluster exhibiting dual emission character.
Nanoscale, 2015, 7, 1650-1654
1518637 CIFC27 H24 B3 N3 O12R -3 :H19.9798; 19.9798; 12.6217
90; 90; 120
4363.46Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun
1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.
Organic letters, 2015, 17, 560-563
1518741 CIFC30 H42 As3 Cl3 S6R -3 :H16.413; 16.413; 23.8
90; 90; 120
5552.4Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.
Self-assembled trinuclear arsenic and antimony macrobicycles
Chem. Sci., 2015, 6, 2444
1518743 CIFC30 H42 Cl3 S6 Sb3R -3 :H16.458; 16.458; 23.9449
90; 90; 120
5616.9Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.
Self-assembled trinuclear arsenic and antimony macrobicycles
Chem. Sci., 2015, 6, 2444
1518932 CIFC45 H162 Mo60 N22.5 O601.26 Se21.57 W72R -3 :H32.8171; 32.8171; 74.653
90; 90; 120
69627Korenev, Vladimir S.; Abramov, Pavel A.; Vicent, Cristian; Zhdanov, Artem A.; Tsygankova, Alphiya R.; Sokolov, Maxim N.; Fedin, Vladimir P.
Selenate as a novel ligand for keplerate chemistry. New {W72Mo60} keplerates with selenates inside the cavity.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 8839-8845
1518950 CIFC42 H42 N2 S4R -3 :H43.2109; 43.2109; 5.0578
90; 90; 120
8178.6He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi
A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors
Chem. Sci., 2015, 6, 3180
1518981 CIFC52 H80 Cl2 Cr2 N4 O2 P4R -3 :H21.646; 21.646; 37.995
90; 90; 120
15417.4Reed J. Eisenhart; Rebecca K. Carlson; Kelsey M. Boyle; Laura Gagliardi; Connie C. Lu
Synthesis and redox reactivity of a phosphine-ligated dichromium paddlewheel
Inorganica Chimica Acta, 2015, 424, 336-344
1519317 CIFC10 H10 Fe I3R -3 :H8.461; 8.461; 16.988
90; 90; 120
1053.21Bricklebank, Neil; Gelbrich, Thomas; Hursthouse, Michael B.
C10H10FeI3
Crystal Structure Report Archive, 2001, 831
1519392 CIFC36 H82 Cl2 N3 Na O4.5 Si6 ThR -3 :H18.404; 18.404; 29.626
90; 90; 120
8690Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.
Thorium‒ligand multiple bonds via reductive deprotection of a trityl group
Chem. Sci., 2015, 6, 3891
1519776 CIFC144 H96 B3 F78 Fe4 Ga4 O8R -3 :H24.595; 24.595; 48.278
90; 90; 120
25291Aldridge, Simon; Horton, Peter N.; Hursthouse, Michael B.
C144H96B3F78Fe4Ga4O8
Crystal Structure Report Archive, 2006, 1180
1520808 CIFEu0.0501 La0.1169 O12 P2.833 Pb0.333 Si0.167 Zr2R -3 :H8.701; 8.701; 23.41
90; 90; 120
1534.87Bakhous, K.; Cherkaoui, F.; Benabad, A.; Dexpert-Ghys, J.; Savariault, J.M.; El Jouhari, N.
Structural approach and luminescence properties of La1/6 Pb1/3 Zr2 (P O4)17/6 (Si O4)1/6 : Eu(3+)
Journal of Solid State Chemistry, 1999, 146, 499-505
1520809 CIFLa0.167 O12 P2.833 Pb0.333 Si0.167 Zr2R -3 :H8.692; 8.692; 23.45
90; 90; 120
1534.31Bakhous, K.; Cherkaoui, F.; Benabad, A.; Savariault, J.M.
New phosphosilicates with Nasicon structure type
Materials Research Bulletin, 1999, 34, 263-269
1521051 CIFMo12 Rb2 Se14R -3 :H9.538; 9.538; 24.66
90; 90; 120
1942.85Gautier, R.; Picard, S.; Gougeon, P.; Potel, M.
Synthesis, crystal and electronic structures, and electrical properties of Rb2 Mo12 Se14 containing trioctahedral Mo12 clusters
Materials Research Bulletin, 1999, 34, 93-101
1521121 CIFO12 Re Tm6R -3 :H9.6953; 9.6953; 9.2084
90; 90; 120
749.613Hartmann, T.; Ehrenberg, H.; Miehe, G.; Wltschek, G.; Fuess, H.
Preparation and characterization of rare earth rhenium oxides Ln6 Re O12, Ln = Ho, Er, Tm, Yb, Lu
Journal of Solid State Chemistry, 1999, 148, 220-223
1521374 CIFMg O3 SiR -3 :H4.686; 4.686; 13.291
90; 90; 120
252.751Karki, B.B.; Duan, W.; da Silva, C.R.S.; Wentzcovitch, R.M.
Ab initio structure of Mg Si O3 ilmenite at high pressure
American Mineralogist, 2000, 85, 317-320
1521515 CIFLa0.333 O12 P3 Ti2R -3 :H8.26988; 8.26988; 22.3573
90; 90; 120
1324.18Lightfoot, P.; Jorgensen, J.D.; Woodcock, D.A.; Short, S.
Low thermal expansion materials: a comparison of the structural behaviour of La0.33 Ti2 (P O4)3, Sr0.5 Ti2 (P O4)3 and Na Ti2 (P O4)3
International Journal of Inorganic Materials, 1999, 1, 53-60
1521631 CIFCu0.5 Mn0.25 O12 P3 Zr2R -3 :H8.8352; 8.8352; 22.254
90; 90; 120
1504.43Mouline, A.; Alami, M.; Parent, C.; Brochu, R.; Olazcuaga, R.; le Flem, G.
Structural and luminescent properties of a Nasicon-type phosphate Cu(I)0.5 Mn(II)0.25 Zr2 (P O4)3
Journal of Solid State Chemistry, 2000, 152, 453-459
1521670 CIFGa In O4 ZnR -3 :H3.299; 3.299; 26.101
90; 90; 120
246.01Nespolo, M.; Sato, A.; Osawa, T.; Ohashi, H.
Synthesis, crystal structure and charge distribution of In Ga Zn O4. X-ray diffraction of 20 kb single crystal and 50 kb twin by reticular merohedry
Crystal Research and Technology, 2000, 35, 151-165
1521832 CIFCl4 Co Cs D18 N6 O8R -3 :H7.21; 7.21; 26.8189
90; 90; 120
1207.38Reynolds, P.A.; Henning, R.W.; Schultz, A.J.
Orientational disordering in Cs Co (N D3)6 (Cl O4)2 Cl2 crystals studied by single crystal neutron diffraction between 20 and 290 K
Journal of Solid State Chemistry, 2000, 149, 60-67
1521849 CIFFe5 O12 Y3R -3 :H17.484; 17.484; 10.69
90; 90; 120
2830.02Rodic, D.; Mitric, M.; Tellgren, R.; Rundloef, H.; Kremenovic, A.
True magnetic structure of the ferrimagnetic garnet Y3 Fe5 O12 and magnetic moments of iron ions
Journal of Magnetism and Magnetic Materials, 1999, 191, 137-145
1522047 CIFNb10.132 O19 Si0.867 Sr0.926R -3 :H7.843; 7.843; 42.26
90; 90; 120
2251.25Tortelier, J.; Emge, T.J.; Veith, G.; Greenblatt, M.
Synthesis, crystal structure, and physical properties of Sr0.93 (Six Nb1-x) Nb10 O19 (x=0.87)
Journal of Solid State Chemistry, 2000, 152, 540-545
1522053 CIFH6 Hf Na2 O6R -3 :H6.001; 6.001; 14.205
90; 90; 120
443.016Troyanov, S.I.; Kostrikin, A.V.; Lin'ko, I.V.; Ezhov, A.I.; Zaitsev, B.E.; Spiridonov, F.M.
Crystal structure of hydroxohafnates Na2 Hf (O H)6 and K2 Hf (O H)6
Kristallografiya, 1999, 44, 1054-1058
1522135 CIFCa2 La2 Mn O7R -3 :H5.62176; 5.62176; 17.31609
90; 90; 120
473.942Wang, Y.-X.; Lin, J.-H.; Du, Y.; Loong, C.-K.; Qin, R.-W.; Han, B.
A hexagonal perovskite intergrowth compound: La2 Ca2 Mn O7
Angew. Chem. Int. ed., 2000, 39, 2730-2732
1522209 CIFGe Na2 O6 TeR -3 :H5.10118; 5.10118; 15.959
90; 90; 120
359.648Woodward, P.M.; Sleight, A.W.; Du, L.-S.; Grey, C.P.
Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6
Journal of Solid State Chemistry, 1999, 147, 99-116
1522211 CIFNa2 O6 Te TiR -3 :H5.2201; 5.2201; 15.8375
90; 90; 120
373.745Woodward, P.M.; Grey, C.P.; Sleight, A.W.; Du, L.-S.
Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6
Journal of Solid State Chemistry, 1999, 147, 99-116
1522650 CIFPt4 Yb3R -3 :H12.888; 12.888; 5.629
90; 90; 120
809.716Palenzona, A.
The crystal structure and lattice constants of R3 Pt4 compounds
Journal of the Less-Common Metals, 1977, 53, 133-136
1522816 CIFNi4 Ti3R -3 :H11.24; 11.24; 5.077
90; 90; 120
555.483Saburi, T.; Nenno, S.; Fukuda, T.
Crystal structure and morphology of the metastable X-phase in shape memory Ti-Ni alloys
Journal of the Less-Common Metals, 1986, 125, 157-166
1524030 CIFCo22.99 Cr15.01 W15R -3 :H10.8819; 10.8819; 19.2366
90; 90; 120
1972.73Barrows, R.G.; Newkirk, J.B.
Phase equilibria in the Co-Cr-W system with special emphasis on the R-phase
Metallography, 1972, 5, 515-541
1524056 CIFO12 W Y6R -3 :H9.751; 9.751; 9.332
90; 90; 120
768.429Beaury, O.; Faucher, M.; Caro, P.
Crystal structure and fluorescence spectrum of 3(Y2 O3), W O3:Eu((3+))
Materials Research Bulletin, 1978, 13, 175-185
1524589 CIFEu3 Pd2R -3 :H9.204; 9.204; 17.384
90; 90; 120
1275.36Iandelli, A.; Palenzona, A.
The Crystal structure of the intermetallic compound Eu3 Pd2
Journal of the Less-Common Metals, 1975, 40, 263-264
1525068 CIFHo2.64 Mo18 S24R -3 :H9.0884; 9.0884; 11.2829
90; 90; 120
807.098Pena, O.; Horyn, R.; Potel, M.; Padiou, J.; Sergent, M.
Crystal structure and normal state physical properties of Hox Mo6 S8 (0.88<= x<= 1.0) single crystals
Journal of the Less-Common Metals, 1985, 105, 105-117
1525155 CIFO12 Y4 Zr3R -3 :H9.729; 9.729; 9.103
90; 90; 120
746.194Ray, S.P.; Stubican, V.S.; Cox, D.E.
Neutron diffraction investigation of Zr3 Y4 O12
Materials Research Bulletin, 1980, 15, 1419-1423
1525280 CIFCa Cr F6R -3 :H5.336; 5.336; 14.153
90; 90; 120
348.988Siebert, G.; Hoppe, R.
Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 391, 126-136
1525281 CIFCr F6 MgR -3 :H5.091; 5.091; 13.143
90; 90; 120
295.006Siebert, G.; Hoppe, R.
Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 391, 126-136
1525283 CIFCd Cr F6R -3 :H5.14; 5.14; 14.075
90; 90; 120
322.037Siebert, G.; Hoppe, R.
Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 391, 126-136
1525284 CIFCr F6 HgR -3 :H5.128; 5.128; 14.265
90; 90; 120
324.862Siebert, G.; Hoppe, R.
Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 391, 126-136
1525399 CIFLi8 O6 PbR -3 :H5.543; 5.543; 15.63
90; 90; 120
415.891Troemel, M.; Maetz, J.; Muellner, M.
Die Kristallstruktur von Li8 Pb O6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 449, 102-104
1525900 CIFO12 W Y6R -3 :H9.7505; 9.7505; 9.3094
90; 90; 120
766.489Diot, N.; Benard-Rocherulle, P.; Marchand, R.
X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)
Powder Diffraction, 2000, 15, 220-226
1525901 CIFHo6 O12 WR -3 :H9.7583; 9.7583; 9.3142
90; 90; 120
768.112Diot, N.; Benard-Rocherulle, P.; Marchand, R.
X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)
Powder Diffraction, 2000, 15, 220-226
1525972 CIFGe5 O25 P6R -3 :H7.994; 7.994; 24.87
90; 90; 120
1376.37Mayer, H.; Voellenkle, H.
Die Kristallstruktur von Ge5 O (P O4)6
Monatshefte fuer Chemie (-108,1977), 1972, 103, 1560-1571
1526062 CIFMn0.5 O12 P3 Zr2R -3 :H8.85; 8.85; 21.8
90; 90; 120
1478.68Mouline, A.; Alami, M.; Brochu, R.; Olazcuaga, R.; Parent, C.; le Flem, G.
The structure and luminescent properties of Mn0.5 Zr2 (P O4)3
Materials Research Bulletin, 2000, 35, 899-908
1526260 CIFFe1.2 O3 Ti0.8R -3 :H5.0786; 5.0786; 13.985
90; 90; 120
312.378Harrison, R.J.; Redfern, S.A.T.; Smith, R.I.
In-situ study of the R3- to R3-c phase transition in the ilmenite -hematite solid solution using time-of-flight neutron powder diffraction
American Mineralogist, 2000, 85, 194-205
1526269 CIFFe1.1 O3 Ti0.9R -3 :H5.0828; 5.0828; 14.033
90; 90; 120
313.969Harrison, R.J.; Redfern, S.A.T.; Smith, R.I.
In-situ study of the R3- to R3-c phase transition in the ilmenite -hematite solid solution using time-of-flight neutron powder diffraction
American Mineralogist, 2000, 85, 194-205
1526274 CIFFe O3 TiR -3 :H5.15116; 5.15116; 14.2522
90; 90; 120
327.509Harrison, R.J.; Redfern, S.A.T.; Smith, R.I.
In-situ study of the R3- to R3-c phase transition in the ilmenite -hematite solid solution using time-of-flight neutron powder diffraction
American Mineralogist, 2000, 85, 194-205
1526467 CIFH6 Na2 O6 SnR -3 :H5.951; 5.951; 14.191
90; 90; 120
435.235Jacobs, H.; Stahl, R.
Neubestimmung der Kristallstrukturen der Hexahydroxometallate Na2 Sn (O H)6, K2 Sn (O H)6 und K2 Pb (O H)6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 1863-1866
1526469 CIFH6 K2 O6 SnR -3 :H6.541; 6.541; 12.813
90; 90; 120
474.755Jacobs, H.; Stahl, R.
Neubestimmung der Kristallstrukturen der Hexahydroxometallate Na2 Sn (O H)6, K2 Sn (O H)6 und K2 Pb (O H)6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 1863-1866
1526619 CIFIn12 K2 Se19R -3 :H13.852; 13.852; 35.19
90; 90; 120
5847.56Kienle, L.; Simon, A.
Microdomains and diffuse scattering in K2 In12 Se19
Journal of Solid State Chemistry, 2001, 161, 385-395
1526681 CIFC6 H18 Co N12 Os S6R -3 :H12.368; 12.368; 11.83
90; 90; 120
1567.16Staehler, O.; Preetz, W.
Darstellung, Kristallstruktur, Schwingungsspektren und Normalkoordinatenanalyse von (Co (N H3)6) (Os (S C N)6)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 2077-2080
1526720 CIFLa4 O12 Ti3R -3 :H5.561; 5.561; 26.24
90; 90; 120
702.749Konstantinov, P.; Krezhov, K.; Svab, E.; Torok, G.; Meszaros, G.
Neutron powder diffraction refinement of the crystal structure of La4 Ti3 O12
Physik (Berlin), 2000, 276, 260-261
1526779 CIFBa2 La4 O18 Ti5R -3 :H5.5809; 5.5809; 41.05579
90; 90; 120
1107.42Teneze, N.; Mercurio, D.; Frit, B.; Trolliard, G.
Cation-deficient perovskite-related compounds (Ba, La)n Tin-1 O3n (n=4,5 and 6): a Rietveld refinement from neutron powder diffraction data
Materials Research Bulletin, 2000, 35, 1603-1614
1526788 CIFBi Na O3R -3 :H5.5672; 5.5672; 15.989
90; 90; 120
429.166Kumada, N.; Kinomura, N.; Sleight, A.W.
Neutron powder diffraction refinement of ilmenite-type bismuth oxides: A Bi O3 (A = Na, Ag)
Materials Research Bulletin, 2000, 35, 2397-2402
1526865 CIFI12 La6 Na OsR -3 :H16.214; 16.214; 11.172
90; 90; 120
2543.56Uma, S.; Corbett, J.D.
Derivatization of the rhombohedral rare-earth-metal (R) cluster halides R7 (Z) X12: the new Na La6 (Os) I12
Journal of Solid State Chemistry, 2001, 161, 161-165
1527062 CIFCr2 Se3R -3 :H6.25; 6.25; 17.28
90; 90; 120
584.567Adachi, Y.; Funahashi, S.; Kaneko, T.; Ohashi, M.; Yuzuri, M.; Yamaguchi, Y.; Morii, Y.
Magnetic structure of rhombohedral Cr2 Se3
Journal of the Physical Society of Japan, 1994, 63, 1548-1559
1527081 CIFP2 Pd15R -3 :H7.1067; 7.1067; 17.0867
90; 90; 120
747.351Andersson, Y.
The crystal structure of Pd15 P2
Acta Chemica Scandinavica, Series A: (28,1974-), 1977, 31, 354-358
1527496 CIFBi F6 LiR -3 :H5.181; 5.181; 13.99
90; 90; 120
325.219Hebecker, C.
Ueber Alkalihexafluorobismutate(V)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1970, 376, 236-243
1527497 CIFBi F6 NaR -3 :H5.468; 5.468; 15.16
90; 90; 120
392.543Hebecker, C.
Ueber Alkalihexafluorobismutate(V)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1970, 376, 236-243
1527498 CIFBi F6 RbR -3 :H7.712; 7.712; 7.889
90; 90; 120
406.337Hebecker, C.
Ueber Alkalihexafluorobismutate(V)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1970, 376, 236-243
1527499 CIFBi Cs F6R -3 :H7.93; 7.93; 8.274
90; 90; 120
450.601Hebecker, C.
Ueber Alkalihexafluorobismutate(V)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1970, 376, 236-243

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