Crystallography Open Database

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1560971 CIF
HKL
Nd O14 P5P m n a12.95; 8.756; 8.99
90; 90; 90
1019Cramer, Alisha J.; Cole, Jacqueline M.
Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
Journal of Solid State Chemistry, 2018, 266, 250-257
1560972 CIF
HKL
Nd O14 P5P m n a12.944; 8.742; 8.987
90; 90; 90
1017Cramer, Alisha J.; Cole, Jacqueline M.
Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
Journal of Solid State Chemistry, 2018, 266, 250-257
1560974 CIF
HKL
Nd O14 P5P m n a12.97; 8.83; 8.88
90; 90; 90
1017Cramer, Alisha J.; Cole, Jacqueline M.
Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
Journal of Solid State Chemistry, 2018, 266, 250-257
1560976 CIF
HKL
Nd O14 P5P m n a13.107; 8.83; 9.038
90; 90; 90
1046Cramer, Alisha J.; Cole, Jacqueline M.
Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
Journal of Solid State Chemistry, 2018, 266, 250-257
1560978 CIF
HKL
Nd O14 P5P m n a13.08; 8.759; 9.002
90; 90; 90
1031Cramer, Alisha J.; Cole, Jacqueline M.
Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
Journal of Solid State Chemistry, 2018, 266, 250-257
1560980 CIF
HKL
Nd O14 P5P m n a12.98; 8.758; 8.976
90; 90; 90
1020Cramer, Alisha J.; Cole, Jacqueline M.
Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
Journal of Solid State Chemistry, 2018, 266, 250-257
1560982 CIF
HKL
Nd O14 P5P m n a13.028; 8.778; 9.009
90; 90; 90
1030.3Cramer, Alisha J.; Cole, Jacqueline M.
Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
Journal of Solid State Chemistry, 2018, 266, 250-257
1561170 CIFC2 Mn O4P m n a7.1333; 5.8787; 9.0186
90; 90; 90
378.191Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.
Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O
Journal of Solid State Chemistry, 2018, 260, 87-94
1568587 CIFCl2 Cu H4 O2P m n a8.0553; 3.7295; 7.3674
90; 90; 90
221.333Boeré, René T.
Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors
Crystals, 2023, 13, 293
1568588 CIFCl2 Cu H4 O2P m n a8.0405; 3.7238; 7.3585
90; 90; 90
220.32Boeré, René T.
Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors
Crystals, 2023, 13, 293
2008632 CIF
Paper
C12 H14 Cl4 N2 TiP m n a7.184; 8.014; 14.151
90; 90; 90
814.7Hensen, Karl; Lemke, Alexander; Bolte, Michael
Addition compounds of titanium tetrachloride with aromatic nitrogen bases
Acta Crystallographica Section C, 1999, 55, 863-867
2010919 CIF
HKL
Paper
C12 H14 Cl4 N2 SiP m n a7.1766; 7.8911; 13.7036
90; 90; 90
776.052Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C, 2000, 56, 610-613
2010920 CIF
HKL
Paper
C12 H14 Br Cl3 N2 SiP m n a7.177; 7.962; 13.557
90; 90; 90
774.69Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C, 2000, 56, 610-613
2010921 CIF
HKL
Paper
C12 H14 Br2 Cl2 N2 SiP m n a7.252; 8.12; 13.54
90; 90; 90
797.3Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C, 2000, 56, 610-613
2010922 CIF
HKL
Paper
C12 H14 Br3 Cl N2 SiP m n a7.296; 8.211; 13.472
90; 90; 90
807.07Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C, 2000, 56, 610-613
2010923 CIF
HKL
Paper
C12 H14 Br4 N2 SiP m n a7.3298; 8.2819; 13.4126
90; 90; 90
814.21Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C, 2000, 56, 610-613
2011552 CIF
HKL
Paper
C12 H14 Cl4 Ge N2P m n a7.154; 7.933; 13.731
90; 90; 90
779.3Bolte, Michael; Hensen, Karl; Faber, Alexander
<i>trans</i>-Tetrachlorobis(4-methylpyridine)germanium(IV)
Acta Crystallographica Section C, 2000, 56, e497-e498
2011553 CIF
HKL
Paper
C12 H14 Br4 Ge N2P m n a7.36; 8.36; 13.561
90; 90; 90
834.4Bolte, Michael; Hensen, Karl; Faber, Alexander
Complexes of germanium bromides with 4-picoline and 3,4-lutidine
Acta Crystallographica Section C, 2000, 56, e499-e500
2022954 CIF
HKL
Paper
C94.39 H164.78 Cl14.39 N26 Ni8 O6P m n a30.39; 14.5762; 14.5141
90; 90; 90
6429.3Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert
An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives
Acta Crystallographica Section E Crystallographic Communications, 2023, 79, 1199-1206
2102526 CIF
Paper
C20 H44 Cl6 Mg3 O14P m n a13.303; 7.835; 18.169
90; 90; 90
1893.7Prof. Clemente Dore Augusto; Prof. Marzotto Armando
30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
Acta Crystallographica Section B, 2004, 60, 287-292
2213645 CIF
HKL
Paper
C19 H18 O3P m n a6.5579; 9.1687; 24.328
90; 90; 90
1462.8Xin-Qiao Liu; Wen-Yuan Gao
1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione
Acta Crystallographica Section E, 2007, 63, o2831-o2831
2219773 CIF
HKL
Paper
Ce O14 P5P m n a13.1252; 8.7991; 9.0741
90; 90; 90
1047.97Zhu, Jing; Cheng, Wen-Dan; Zhang, Hao
An orthorhombic polymorph of cerium(III) ultraphosphate, CeP~5~O~14~
Acta Crystallographica Section E, 2008, 64, i74
4000503 CIFB5 Er3 O12P m n a12.8458; 4.6186; 12.5128
90; 90; 90
742.38Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert
Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)
Chemistry of Materials, 2005, 17, 2707-2715
4000576 CIFB5 O12 Tm3P m n a12.82; 4.6019; 12.477
90; 90; 90
736.1Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert
Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)
Chemistry of Materials, 2005, 17, 2707-2715
4000577 CIFB5 O12 Yb3P m n a12.774; 4.5864; 12.451
90; 90; 90
729.5Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert
Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)
Chemistry of Materials, 2005, 17, 2707-2715
4000578 CIFB5 Lu3 O12P m n a12.7651; 4.575; 12.4418
90; 90; 90
726.605Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert
Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)
Chemistry of Materials, 2005, 17, 2707-2715
4001326 CIFC128 H156 Co12 O114 Zn8P m n a21.881; 7.07; 26.967
90; 90; 90
4172Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.
Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation
Chemistry of Materials, 2007, 19, 2162
4027807 CIFAg I Se3P m n a14.935; 4.589; 8.254
90; 90; 90
565.702Deiseroth, H.J.; Neumann, E.; Wagener, M.
(Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the "solid solvent" Ag I
European Journal of Inorganic Chemistry, 2004, 2004, 4755-4758
4027808 CIFAg I Te3P m n a16.23; 4.696; 8.805
90; 90; 90
671.083Wagener, M.; Neumann, E.; Deiseroth, H.J.
(Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the "solid solvent" Ag I
European Journal of Inorganic Chemistry, 2004, 2004, 4755-4758
4031568 CIFH4 N4P m n a8.917; 3.7761; 8.639
90; 90; 90
290.888Lerner, H.W.; Bolte, M.; Wiberg, N.
Silatetrazoline: Eigenschaften und Strukturen cyclischer thermostabiler Tetrazenderivate
Journal of Organometallic Chemistry, 2002, 649, 246-251
4102830 CIFBa Ge5P m n a10.727; 9.2844; 14.794
90; 90; 90
1473.4Umut Aydemir; Lev Akselrud; Wilder Carrillo-Cabrera; Christophe Candolfi; Niels Oeschler; Michael Baitinger; Frank Steglich; Yuri Grin
BaGe5: A New Type of Intermetallic Clathrate
Journal of the American Chemical Society, 2010, 132, 10984-10985
4124012 CIFC4 H12 K3 Mo N4 Na O8P m n a12.46; 7.161; 9.171
90; 90; 90
818.292Day, V.W.; Hoard, J.L.
The Structure of the trans-Dioxotetracyanomolybdate(IV) Ion in the Crystalline Salt Na K3 Mo O2 (C N)4 (H2 O)6
Journal of the American Chemical Society, 1968, 90, 3374-3379
4130017 CIFC4 H4 Cu N4 O6P m n a6.70122; 5.11854; 11.63508
90; 90; 90
399.089Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero
Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.
Journal of the American Chemical Society, 2016, 138, 2280-2291
4302741 CIFCu Ga2 O10 Se3P m n a6.495; 9.598; 13.443
90; 90; 90
838Fang Kong; Qi-Pu Lin; Fei-Yan Yi; Jiang-Gao Mao
Explorations of New Phases in the GaIII/InIII-CuII-SeIV-O System
Inorganic Chemistry, 2009, 48, 6794-6803
4304941 CIFC4 H3.1 F0.3 O4.1 VP m n a7.101; 3.8416; 20.57
90; 90; 90
561.1Marie Vougo-Zanda; Ekaterina V. Anokhina; Selma Duhovic; Lumei Liu; Xiqu Wang; Oluwakemi A. Oloba; Thomas A. Albright; Allan J. Jacobson
Octahedral Tilting in MM'X4 Metal-Oxide Organic Layer Structures
Inorganic Chemistry, 2008, 47, 4746-4751
4314828 CIFC4 H4 Cu N4 O6P m n a6.69166; 5.10538; 11.60022
90; 90; 90
396.304J. Jornet-Somoza; M. Deumal; M. A. Robb; C. P. Landee; M. M. Turnbull; R. Feyerherm; J. J. Novoa
First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S=1/2 Antiferromagnetic Crystal
Inorganic Chemistry, 2010, 49, 1750-1760
4315502 CIFC17 H8 Co F4 N2 O3P m n a26.271; 8.9909; 6.4018
90; 90; 90
1512.1Zeric Hulvey; Brent C. Melot; Anthony K. Cheetham
Structure and Magnetic Field-Induced Transition in a One-Dimensional Hybrid Inorganic-Organic Chain System, Co2(4,4'-bpy)(tfhba)2.4,4'-bpy (4,4'-bpy = 4,4'-Bipyridine; tfhba = 2,3,5,6-Tetrafluoro-4-hydroxybenzoate)
Inorganic Chemistry, 2010, 49, 4594-4598
4315503 CIFC17 H8 F4 N2 O3 ZnP m n a26.376; 8.9842; 6.3964
90; 90; 90
1515.7Zeric Hulvey; Brent C. Melot; Anthony K. Cheetham
Structure and Magnetic Field-Induced Transition in a One-Dimensional Hybrid Inorganic-Organic Chain System, Co2(4,4'-bpy)(tfhba)2.4,4'-bpy (4,4'-bpy = 4,4'-Bipyridine; tfhba = 2,3,5,6-Tetrafluoro-4-hydroxybenzoate)
Inorganic Chemistry, 2010, 49, 4594-4598
4320864 CIFC2 K4 N2 Re6 S10P m n a11.183; 9.198; 10.028
90; 90; 90
1031.5Yuri V. Mironov; Vladimir E. Fedorov; Craig C. McLauchlan; James A. Ibers
Layered K4[Re6S10(CN)2] and Chainlike K4[Re6Se10(CN)4]: New Types of Chalcocyanide Cluster Compounds with Bridging Chalcogenide Ligands
Inorganic Chemistry, 2000, 39, 1809-1811
4322472 CIFC4 Cu N3P m n a7.212; 5.452; 10.696
90; 90; 90
420.6H. Hoshino; K. Iida; T. Kawamoto; T. Mori
Structural and Magnetic Properties of Cu[C(CN)3]2 and Mn[C(CN)3]2
Inorganic Chemistry, 1999, 38, 4229-4232
4322473 CIFC8 Mn N6P m n a7.742; 5.411; 10.561
90; 90; 90
442.4H. Hoshino; K. Iida; T. Kawamoto; T. Mori
Structural and Magnetic Properties of Cu[C(CN)3]2 and Mn[C(CN)3]2
Inorganic Chemistry, 1999, 38, 4229-4232
4344951 CIFC2 H12 I4 N6 SnP m n a13.0471; 13.5581; 9.3478
90; 90; 90
1653.6Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.
Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.
Inorganic chemistry, 2017, 56, 56-73
4349104 CIFC12 H6 F2 Fe N8 NiP m n a7.2842; 6.9449; 14.4255
90; 90; 90
729.76Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio
Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.
Inorganic chemistry, 2016, 55, 10654-10665
4349105 CIFC12 H6 F2 Fe N8 PtP m n a7.2572; 6.9861; 14.9922
90; 90; 90
760.1Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio
Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.
Inorganic chemistry, 2016, 55, 10654-10665
4349113 CIFC12 H6 F2 Fe N8 PtP m n a7.4534; 7.1275; 15.0455
90; 90; 90
799.28Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio
Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.
Inorganic chemistry, 2016, 55, 10654-10665
4349114 CIFC12 H6 F2 Fe N8 PdP m n a7.4526; 7.1125; 14.777
90; 90; 90
783.28Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio
Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.
Inorganic chemistry, 2016, 55, 10654-10665
4349117 CIFC12 H6 F2 Fe N8 PdP m n a7.2646; 6.9726; 14.7703
90; 90; 90
748.16Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio
Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.
Inorganic chemistry, 2016, 55, 10654-10665
4504387 CIFC22 H40.6 N4 O19.3P m n a13.903; 7.959; 14.655
90; 90; 90
1621.6Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S.
Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies†
Crystal Growth & Design, 2007, 7, 1844
4512306 CIFC7 H5 Cl2 N O2P m n a22.315; 3.8413; 19.598
90; 90; 90
1679.9Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo
Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons
Crystal Growth & Design, 2014, 14, 6189
4512307 CIFC7 H5 Cl2 N O2P m n a22.252; 3.7729; 19.6529
90; 90; 90
1650Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo
Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons
Crystal Growth & Design, 2014, 14, 6189

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