Crystallography Open Database

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2011309 CIF
HKL
Paper
C54 H45 Cl Ni P3P 319.0125; 19.0125; 10.4507
90; 90; 120
3271.6Ellis, Dianne D.; Spek, Anthony L.
Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)
Acta Crystallographica Section C, 2000, 56, 1067-1070
2011660 CIF
Paper
Na4 O12 Ti5P 35.31997; 5.31997; 9.5567
90; 90; 120
234.238Avdeev, Maxim; Kholkin, Andrei
Low-temperature Na~4~Ti~5~O~12~ from X-ray and neutron powder diffraction data
Acta Crystallographica Section C, 2000, 56, e539-e540
2016713 CIF
HKL
Paper
C16 H28 O3P 315.5892; 15.5892; 5.6424
90; 90; 120
1187.52Stilinović, Vladimir; Kaitner, Branko
Partial ordering of tripivaloylmethane at 110K
Acta Crystallographica Section C, 2008, 64, o450-o452
2019308 CIF
Paper
H9 N6 O9 RhP 37.496; 7.496; 5.256
90; 90; 120
255.77Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.
Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry
Acta Crystallographica Section C, 2013, 69, 1462-1466
2020218 CIFF12 H24 N6 O12 S3 Sb4P 317.07; 17.07; 7.515
90; 90; 120
1896.39Waskowska, A.; Lis, T.
Structure of hexaammonium dodecafluorotrisulfato tetraantimonate(III) at 300K
Acta Crystallographica C (39,1983-), 1988, 44, 1342-1345
2022130 CIF
HKL
Paper
C9 H12 N4 O6P 312.7917; 12.7917; 5.8996
90; 90; 120
836.01Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald
Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding
Acta Crystallographica Section C, 2020, 76
2100674 CIF
Paper
As Ga O4P 38.2033195; 8.2033195; 4.3941092
90; 90; 120
256.083Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel
Structural characterization of a new high-pressure phase of GaAsO~4~
Acta Crystallographica Section B, 2006, 62, 1019-1024
2101950 CIF
Paper
C16 H22 N6P 316.152; 16.152; 5.353
90; 90; 120
1209.4Ochando, L. E.; Rius, J.; Louër, D.; Claramunt, R. M.; Lopez, C.; Elguero, J.; Amigó, J. M.
Phase Transitions in Tris(3,5-dimethylpyrazol-1-yl)methane. The Structure of the High-Temperature Phase from X-ray Powder Diffraction
Acta Crystallographica Section B, 1997, 53, 939-944
2103731 CIF
Paper
C6 H11 N OP 320.983; 20.983; 7.621
90; 90; 120
2905.88Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella
Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime
Acta Crystallographica Section B, 2001, 57, 705-713
2104666 CIF
Paper
Ge9 O33 Pb15P 310.22887; 10.22887; 10.66337
90; 90; 120
966.23Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.
Polysomatic apatites
Acta Crystallographica Section B, 2010, 66, 1-16
2104667 CIF
Paper
Bi1.5 Ge9 Na1.5 O33 Pb12P 310.13385; 10.13385; 10.52045
90; 90; 120
935.651Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.
Polysomatic apatites
Acta Crystallographica Section B, 2010, 66, 1-16
2104668 CIF
Paper
Bi3 Ge9 Na3 O33 Pb9P 310.08745; 10.08745; 10.40506
90; 90; 120
916.934Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.
Polysomatic apatites
Acta Crystallographica Section B, 2010, 66, 1-16
2108521 CIF
HKL
Cu6 H16 O21 S2 ZnP 38.1905; 8.1905; 7.099
90; 90; 120
412.43Elliott, Peter
Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure
Acta Crystallographica Section B, 2019, 75
2200391 CIF
HKL
Paper
C10 H24 N2 O8 S3P 310.281; 10.281; 14.788
90; 90; 120
1353.7N. Srinivasan; B. Sridhar; R. K. Rajaram
Bis(<small>DL</small>-methioninium) sulfate
Acta Crystallographica Section E, 2001, 57, o746-o748
2226327 CIF
HKL
Paper
B4 O7 SrP 317.145; 17.145; 4.2527
90; 90; 120
1082.61Vasiliev, Alexander D.; Cherepakhin, Alexander V.; Zaitsev, Alexander I.
The trigonal polymorph of strontium tetraborate, β-SrB~4~O~7~
Acta Crystallographica Section E, 2010, 66, i48
2311858 CIF
Paper
C56 H108 F6 Mg N6 O33 S2P 316.4188; 16.4188; 8.8395
90; 90; 120
2063.67Fujita, Megumi; Kazerouni, Amaan M.; Bacsa, John
The structure of a valinomycin-hexaaquamagnesium trifluoromethanesulfonate compound.
Acta crystallographica. Section C, Structural chemistry, 2016, 72, 627-633
2312129 CIF
HKL
Paper
C12 H60 Cl7 Co2 N12 Na O6P 311.32; 11.32; 8.049
90; 90; 120
893.2Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.
Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 164-169
3000455 CIFC8 H6 Mg3 O6P 35.05475; 5.05475; 38.8242
90; 90; 120
859.078Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
3000457 CIFC8 H6 Mg3 O6P 35.05489; 5.05489; 38.844898
90; 90; 120
859.583Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
4001757 CIFC31.67 H31.67 N4 Ni2 O12.67P 316.586; 16.586; 18.124
90; 90; 120
4318Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo
Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks
Chemistry of Materials, 2013, 25, 1047
4001758 CIFC34 H28 N4 Ni2 O12P 316.634; 16.634; 18.194
90; 90; 120
4359.7Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo
Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks
Chemistry of Materials, 2013, 25, 1047
4002831 CIFBi13 I2 S18P 315.612; 15.612; 4.0168
90; 90; 120
847.9Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.
Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures
Chemistry of Materials, 2017
4036766 CIFC21.67 H36 Ho0 O17.67P 311.0527; 11.0527; 18.729
90; 90; 120
1981.4Maiti, Krishnagopal; Jayaraman, Narayanaswamy
Synthesis and Structure of Cyclic Trisaccharide with Expanded Glycosidic Linkages.
The Journal of organic chemistry, 2016, 81, 4616-4622
4108180 CIFC33 H66 Br8 Cu8 N6 O3P 315.2582; 15.2582; 6.6579
90; 90; 120
1342.4Wen Zhang; Ren-Gen Xiong; Songping D. Huang
3D Framework Containing Cu4Br4 Cubane as Connecting Node with Strong Ferroelectricity
Journal of the American Chemical Society, 2008, 130, 10468-10469
4110994 CIFC12 H24 Ag Cl2 O8 S6P 310.973; 10.973; 5.23
90; 90; 120
545.4Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder
Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)
Journal of the American Chemical Society, 2006, 128, 13827-13839
4110995 CIFC12 H24 Ag Cl2 O8 S6P 310.851; 10.851; 5.186
90; 90; 120
528.8Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder
Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)
Journal of the American Chemical Society, 2006, 128, 13827-13839
4114583 CIFC18 H30.5 Cl1.5 Co N10 O4P 312.277; 12.2772; 9.321
90; 90; 120
1216.7Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima
Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups
Journal of the American Chemical Society, 2002, 124, 629-640
4115954 CIFC180 H144 F72 N36 Os3 P12 Ru3P 318.4189; 18.4189; 16.2309
90; 90; 120
4768.7Josef Breu; Cornelius Kratzer; Hartmut Yersin
Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4
Journal of the American Chemical Society, 2000, 122, 2548-2555
4120480 CIFC63.67 H79.33 Cl7.33 N12P 324.075; 24.075; 10.7146
90; 90; 120
5378.2Hasell, Tom; Culshaw, Jamie L.; Chong, Samantha Y.; Schmidtmann, Marc; Little, Marc A.; Jelfs, Kim E.; Pyzer-Knapp, Edward O; Shepherd, Hilary; Adams, Dave J.; Day, Graeme M.; Cooper, Andrew I.
Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents.
Journal of the American Chemical Society, 2014, 136, 1438-1448
4130594 CIFC6 Br4 Cl2 Ga N2 S4P 313.6489; 13.6489; 7.9023
90; 90; 120
1274.91Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T.
Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure.
Journal of the American Chemical Society, 2016, 138, 10738-10741
4133032 CIFC22 H9 Cl3 Fe2 N9 O12P 313.5493; 13.5493; 9.484
90; 90; 120
1507.8Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis
Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.
Journal of the American Chemical Society, 2018, 140, 12611-12621
4133033 CIFC22 H67 Cl3 Fe2 N9 O41P 313.616; 13.616; 9.43
90; 90; 120
1514.1Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis
Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.
Journal of the American Chemical Society, 2018, 140, 12611-12621
4133181 CIFC42 H66 Cl6 I0.84 N6P 343.918; 43.918; 13.7792
90; 90; 120
23017Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.
Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.
Journal of the American Chemical Society, 2018, 140, 14571-14575
4133249 CIFC37 H52P 323.2294; 23.2294; 10.0567
90; 90; 120
4699.6Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.
Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.
Journal of the American Chemical Society, 2018, 140, 14421-14432
4133704 CIFC42 H51 B F4 Fe N8 OP 319.1778; 19.1778; 9.8155
90; 90; 120
3126.4Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten
A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.
Journal of the American Chemical Society, 2019, 141, 17217-17235
4305618 CIFC61 H69 Cr3 Mn3 N8 O36P 315.966; 15.966; 9.36
90; 90; 120
2066.3Miguel Clemente-León; Eugenio Coronado; Joao C. Dias; Alejandra Soriano-Portillo; Roger D. Willett
Synthesis, Structure, and Magnetic Properties of [(S)-[PhCH(CH3)N(CH3)3]][Mn(CH3CN)2/3Cr(ox)3].(CH3CN)_(solvate), a 2D Chiral Magnet Containing a Quaternary Ammonium Chiral Cation
Inorganic Chemistry, 2008, 47, 6458-6463
4309213 CIFC42 H79 Br8 In5 N6P 321.359; 21.359; 15.206
90; 90; 120
6007.7Marcus L. Cole; Cameron Jones; Marc Kloth
Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]-
Inorganic Chemistry, 2005, 44, 4909-4911
4311301 CIFC36 H45 B2 F8 Fe2 N20P 311.8047; 11.8047; 9.3705
90; 90; 120
1130.85Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues
Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds
Inorganic Chemistry, 2004, 43, 4154-4171
4311302 CIFC36 H45 B2 F8 Fe2 N20P 311.9346; 11.9346; 9.4354
90; 90; 120
1163.88Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues
Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds
Inorganic Chemistry, 2004, 43, 4154-4171
4311303 CIFC36 H45 B2 F8 Fe2 N20P 311.9678; 11.9678; 28.5739
90; 90; 120
3544.3Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues
Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds
Inorganic Chemistry, 2004, 43, 4154-4171
4311692 CIFC36 H71 Fe N5 O51 Ti2P 315.4413; 15.441; 7.6252
90; 90; 120
1574.49Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan
pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes
Inorganic Chemistry, 2004, 43, 6266-6273
4327202 CIFC48 Al6 N3 O117 Si3 W30P 322.3183; 22.3183; 13.2925
90; 90; 120
5734.02Yuji Kikukawa; Kazuya Yamaguchi; Mitsuhiro Hibino; Noritaka Mizuno
Layered Assemblies of a Dialuminum-Substituted Silicotungstate Trimer and the Reversible Interlayer Cation-Exchange Properties
Inorganic Chemistry, 2011, 50, 12411-12413
4327258 CIFC18 H30.5 Br1.5 Co N10 O4P 312.339; 12.339; 9.339
90; 90; 120
1231.4Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto
Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups
Inorganic Chemistry, 2007, 46, 8170-8181
4327259 CIFC18 H26.5 Co I1.5 N10 O2P 312.388; 12.388; 9.389
90; 90; 120
1247.8Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto
Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups
Inorganic Chemistry, 2007, 46, 8170-8181
4327260 CIFC18 H27.5 B1.5 Co F6 N10 O2.5P 312.254; 12.254; 9.299
90; 90; 120
1209.3Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto
Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups
Inorganic Chemistry, 2007, 46, 8170-8181
4327261 CIFC18 H24.5 Cl1.5 Co N10 O7P 312.304; 12.304; 9.315
90; 90; 120
1221.3Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto
Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups
Inorganic Chemistry, 2007, 46, 8170-8181
4330509 CIFC67 H73 Co3 F6 N6 O0.5 P4P 312.6987; 12.6987; 11.4114
90; 90; 120
1593.6Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley
Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure
Inorganic Chemistry, 2012, 51, 10290-10299
4334696 CIFC30 H43 Co N17 O17 S3P 323.97; 23.97; 6.6297
90; 90; 120
3298.8Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora
Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers
Inorganic Chemistry, 2013, 52, 5290-5299
4334697 CIFC30 H39 Co N15 O13.5 S3P 318.815; 18.815; 6.5787
90; 90; 120
2016.9Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora
Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers
Inorganic Chemistry, 2013, 52, 5290-5299
4334698 CIFC30 H42 Co N15 O19 S4P 319.225; 19.225; 6.618
90; 90; 120
2118.3Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora
Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers
Inorganic Chemistry, 2013, 52, 5290-5299

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