Crystallography Open Database

Result: there are 3664 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Chemistry of materials'

Left arrow Left arrow First | Left arrow Previous 100 | of 37 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1000355 CIFCr Cu P2 S6P 1 c 15.935; 10.282; 13.368
90; 106.78; 90		781Maisonneuve, V; Cajipe, V B; Payen, C
Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice
Chemistry of Materials (1,1989-, 1993, 5, 758-760
1000369 CIFBa3 Cu2 Hg O10 Sr Tl2I 4/m m m3.8289; 3.8289; 41.75699
90; 90; 90		612.2Goutenoire, F; Hervieu, M; Martin, C; Maignan, A; Michel, C; Letouze, F; Raveau, B
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10
Chemistry of Materials (1,1989-, 1994, 6, 1654-1658
1001666 CIFCa0.81 Cu2 O7 Sr2 Tl1.19P 4/m m m3.7966; 3.7966; 12.092
90; 90; 90		174.3Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d
Chemistry of Materials (1,1989-, 1995, 7, 1414-1418
1001667 CIFCa0.81 Cu2 O7 Sr2 Tl1.19P 4/m m m3.7808; 3.7808; 12.0855
90; 90; 90		172.8Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d
Chemistry of Materials (1,1989-, 1995, 7, 1414-1418
1001701 CIFCu6 Fe2 La4.4 O20 Sr3.6P 4/m b m10.748; 10.748; 3.8976
90; 90; 90		450.2Genouel, R; Michel, C; Raveau, B
Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20
Chemistry of Materials (1,1989-, 1995, 7, 2181-2184
1001702 CIFCu6.8 Fe1.2 La5.2 O20 Sr2.8P 4/m b m10.787; 10.787; 3.8915
90; 90; 90		452.8Genouel, R; Michel, C; Raveau, B
Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20
Chemistry of Materials (1,1989-, 1995, 7, 2181-2184
1001703 CIFCu6.8 Fe1.2 La6.4 O20 Sr1.6P 4/m b m10.8088; 10.8088; 3.8992
90; 90; 90		455.5Genouel, R; Michel, C; Raveau, B
Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20
Chemistry of Materials (1,1989-, 1995, 7, 2181-2184
1001719 CIFCo O3.111 Sr0.9999 Tl0.41C 1 m 14.95; 25.18999; 11.66
90; 97.76; 90		1440.6Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2
Chemistry of Materials (1,1989-, 1996, 8, 1482-1489
1001725 CIFCr Cu4 O20 Sr8 Tl3A m m 23.778; 15.244; 17.67699
90; 90; 90		1018.1Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B
The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium
Chemistry of Materials (1,1989-, 1996, 8, 865-873
1001789 CIFC0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85P 4/m m m3.832; 3.832; 16.41119
90; 90; 90		241Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B
A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7
Chemistry of Materials (1,1989-, 1997, 9, 2205-2211
1001790 CIFBa2 Ca0.424 Cu2 O7 Pr0.576 TlP 4/m m m3.88416; 3.88416; 12.543
90; 90; 90		189.2Sundaresan, A; Michel, C; Raveau, B; Huong, P V
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Chemistry of Materials (1,1989-, 1997, 9, 2212-2217
1001791 CIFBa Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964P 4/m m m3.85262; 3.85262; 12.2813
90; 90; 90		182.3Sundaresan, A; Michel, C; Raveau, B; Huong, P V
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Chemistry of Materials (1,1989-, 1997, 9, 2212-2217
1001792 CIFCa0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94P 4/m m m3.8262; 3.8262; 12.1262
90; 90; 90		177.5Sundaresan, A; Michel, C; Raveau, B; Huong, P V
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Chemistry of Materials (1,1989-, 1997, 9, 2212-2217
1001863 CIFAl3 Cs7 K2 Mo9 O59 P11P 63/m16.952; 16.952; 11.833
90; 90; 120		2944.9Guesdon, A; Leclaire, A; Borel, M M; Raveau, B
Significant structural disorganization in alkaline molybdenum(V) aluminophosphates
Chemistry of Materials (1,1989-, 1995, 7, 1873-1878
1004029 CIFC5 H16 Ga6 N2 O27 P6A b a 218.035; 10.513; 14.293
90; 90; 90		2710Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.
Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3
Chemistry of Materials, 2001, 13, 1305-1311
1005011 CIFLi Mo N2R 3 :H2.8674; 2.8674; 15.801
90; 90; 120		112.5Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M
LiMoN~2~: the first metallic layered nitride
Chemistry of Materials (1,1989-, 1992, 4, 928-937
1006049 CIFBi4 Cu5 O19.06 Sr7.86F m m m5.3671; 33.9719; 24.0722
90; 90; 90		4389.1Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A
Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~
Chemistry of Materials (1,1989-, 1991, 3, 844-852
1006074 CIFBa2 Cu2 La2 O11 Ti2P 4/m m m3.9367; 3.9367; 15.805
90; 90; 90		244.9Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J
Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data
Chemistry of Materials (1,1989-, 1994, 6, 2118-2122
1006075 CIFBa2 Cu2 Nd2 O11 Ti2P 4/m m m3.91275; 3.91275; 15.7614
90; 90; 90		241.3Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J
Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data
Chemistry of Materials (1,1989-, 1994, 6, 2118-2122
1101142 CIFF2 Li5 O8 P2 VP 1 21/c 16.3589; 10.7795; 10.3836
90; 90.019; 90		711.75Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.
Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)
Chemistry of Materials, 2006, 18, 1745-1752
1101224 CIFMo3 Na2 O16 Te3I 1 2 17.3373; 11.2668; 8.2369
90; 97.387; 90		675.3Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv
Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties
Chemistry of Materials, 2006, 18, 2070-2074
1200020 CIFNi5.72 Sb Se2I 4/m m m3.7021; 3.7021; 18.593
90; 90; 90		254.83Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo
Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te)
Chemistry of Materials, 2002, 14, 4746-4751
1545098 CIFC17 H14 S2C 1 c 115.2642; 15.1883; 6.0321
90; 96.7418; 90		1388.8Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo
Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors
Chemistry of Materials, 2017, 29, 1245
1545099 CIFC16 H12 S2P 1 21 19.1532; 6.0178; 11.7576
90; 94.1913; 90		645.9Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo
Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors
Chemistry of Materials, 2017, 29, 1245
2000128 CIFC3 H18 Al3 N3 O16 P4P -18.368; 11.274; 11.462
72.4; 89.45; 85.35		1027.2Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z.
Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism
Chemistry of Materials, 1999, 11, 2728-2736
4000000 CIFC26 H26 FeP 1 21/c 19.6395; 8.0062; 12.7395
90; 97.0381; 90		975.77Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.
π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings
Chemistry of Materials, 2000, 12, 1604-1610
4000001 CIFC24 H17 F5 FeP -17.5442; 10.5836; 12.1279
86.346; 83.046; 73.886		923Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.
π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings
Chemistry of Materials, 2000, 12, 1604-1610
4000004 CIFC22 H8 F10 FeP 1 21 110.7378; 13.9667; 13.4215
90; 108.263; 90		1911.44Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.
π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings
Chemistry of Materials, 2000, 12, 1604-1610
4000005 CIFSn3 Ti2C m c a5.9556; 19.964; 7.0281
90; 90; 90		835.6Kleinke, Holger; Waldeck, Markus; Gütlich, Philipp
Ti~2~Sn~3~: A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature
Chemistry of Materials, 2000, 12, 2219-2224
4000006 CIFC10 H9 Cl0.5 N O1.5 S6P -14.5376; 11.4249; 14.7464
75.604; 83.876; 83.047		732.69Heuzé, Karine; Mézière, Cécile; Fourmigué, Marc; Batail, Patrick; Coulon, Claude; Canadell, Enric; Auban-Senzier, Pascale; Jérome, Denis
An Efficient, Redox-Enhanced Pair of Hydrogen-Bond Tweezers for Chloride Anion Recognition, a Key Synthon in the Construction of a Novel Type of Organic Metal based on the Secondary Amide-Functionalized Ethylenedithiotetrathiafulvalene, β''-(EDT-TTF-CONHMe)~2~[Cl·H~2~O]
Chemistry of Materials, 2000, 12, 1898-1904
4000007 CIFC30 H46 O3 SP -15.973; 8.069; 29.524
95.02; 93.26; 97.48		1402.1Lindsell, W. Edward; Preston, Peter N.; Seddon, John M.; Rosair, Georgina M.; Woodman, Thomas A. J.
Macroscopic Helical and Cylindrical Morphologies from Achiral 1,3-Diynes
Chemistry of Materials, 2000, 12, 1572-1576
4000008 CIFC2 H10 F Mn N2 O9 V3P b c n14.805; 7.485; 21.038
90; 90; 90		2331.3Law, Teresa S-C.; Williams, Ian D.
Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]
Chemistry of Materials, 2000, 12, 2070-2072
4000009 CIFC4 H18 Mn N4 O12 V4P 1 21/n 15.811; 17.884; 8.417
90; 101.04; 90		858.5Law, Teresa S-C.; Williams, Ian D.
Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]
Chemistry of Materials, 2000, 12, 2070-2072
4000010 CIFC4 H20 Mn N4 O18 V6P -18.074; 8.522; 8.794
77.83; 63.44; 83.6		528.96Law, Teresa S-C.; Williams, Ian D.
Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]
Chemistry of Materials, 2000, 12, 2070-2072
4000011 CIFCe3.67 O3 Se6 Ti2C 1 2/m 128.315; 3.8719; 11.271
90; 90.45; 90		1235.6Tougait, Olivier; Ibers, James A.
Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)
Chemistry of Materials, 2000, 12, 2653-2658
4000012 CIFNd3.67 O3 Se6 Ti2C 1 2/m 128.121; 3.8232; 11.179
90; 90.15; 90		1201.8Tougait, Olivier; Ibers, James A.
Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)
Chemistry of Materials, 2000, 12, 2653-2658
4000013 CIFO3 Se6 Sm3.67 Ti2C 1 2/m 127.961; 3.7827; 11.128
90; 90.26; 90		1177Tougait, Olivier; Ibers, James A.
Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)
Chemistry of Materials, 2000, 12, 2653-2658
4000014 CIFC24 H16 N4 Rb S12 Se8 ZnI 2 2 210.137; 44.006; 4.709
90; 90; 90		2100Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000015 CIFC24 H16 Co Cs N4 S12 Se8I 2 2 29.812; 44.104; 4.907
90; 90; 90		2123Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000016 CIFC24 H16 Cs N4 S12 Se8 ZnI 2 2 29.818; 44.13; 4.906
90; 90; 90		2125Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000017 CIFC22 H16 Ag N2 S8 Se8C 1 2 110.802; 34.644; 4.981
90; 117.44; 90		1654Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000018 CIFC24 H16 Co N4 Rb S12 Se8I 2 2 210.128; 43.97; 4.71
90; 90; 90		2098Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko
Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts
Chemistry of Materials, 2000, 12, 2984-2987
4000019 CIFC6 H6 N2 O2P c a 2118.905; 6.484; 5.016
90; 90; 90		614.9Goeta, Andrés E.; Wilson, Chick C.; Autino, Juan C.; Ellena, Javier; Punte, Graciela
Hydrogen Bonding in Nitroanilines: Neutron Diffraction Study of m-Nitroaniline at 100 K
Chemistry of Materials, 2000, 12, 3342-3346
4000020 CIFC40 H43 Cu2 F8 N8 Nb O2I 41/a c d :224.691; 24.691; 14.556
90; 90; 90		8873.5Norquist, Alexander J.; Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.
Synthesis of the Neutral (CuF(NC~5~H~5~)~4~)~2~NbOF~5~ Cluster
Chemistry of Materials, 2000, 12, 1905-1909
4000021 CIFC18 H14 S12P b c a11.6493; 9.5395; 21.751
90; 90; 90		2417.1Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale
Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^
Chemistry of Materials, 2000, 12, 2250-2256
4000022 CIFC20 H18 Cl4 Fe O0.5 S12C 1 2/c 114.503; 13.9152; 31.148
90; 90.644; 90		6285.6Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale
Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^
Chemistry of Materials, 2000, 12, 2250-2256
4000023 CIFC20 H18 Cl4 Ga O0.5 S12C 1 2/c 114.5016; 13.9153; 31.139
90; 90.804; 90		6283Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale
Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^
Chemistry of Materials, 2000, 12, 2250-2256
4000024 CIFCe9 F18 H67.5 N10.5 O27R -3 :H15.252; 15.2516; 10.749
90; 90; 120		2165Yu, Ranbo; Wang, Dan; Kumada, Nobuhiro; Kinomura, Nobukazu
Novel Open-Framework Material: Cerium Oxyfluoride with CeO~6~F~2~ Dodecahedron
Chemistry of Materials, 2000, 12, 3527-3529
4000025 CIFC21 H18 F5 O3 S18P -18.8052; 11.7986; 17.7276
75.884; 86.163; 77.333		1742.44Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.
Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^
Chemistry of Materials, 2000, 12, 343-351
4000026 CIFC21 H17 F6 O3 S18P -18.7965; 11.7264; 17.5763
95.893; 90.178; 102.286		1761.55Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.
Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^
Chemistry of Materials, 2000, 12, 343-351
4000027 CIFC21 H16 F7 O3 S18P -17.6994; 13.1514; 17.6425
81.323; 87.416; 74.994		1705.74Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.
Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^
Chemistry of Materials, 2000, 12, 343-351
4000028 CIFC4 H68 N6 O22 P4 Zr3P -19.383; 9.923; 8.342
97.85; 111.75; 113.01		627Wang, Dan; Yu, Ranbo; Kumada, Nobuhiro; Kinomura, Nobukazu
Nonaqueous Synthesis and Characterization of a Novel Layered Zirconium Phosphate Templated with Mixed Organic and Inorganic Cations
Chemistry of Materials, 2000, 12, 956-960
4000029 CIFC2 H12 Ga N2 O11 P3C 1 c 18.6139; 14.929; 9.3109
90; 106.541; 90		1147.82Chippindale, Ann M.
Amine-Templated Unidimensional Phosphate‒Diphosphates of Gallium and Vanadium, [NH~3~CH~2~CH~2~NH~3~][M(H~2~PO~4~)(P~2~O~7~)] (M = Ga, V)
Chemistry of Materials, 2000, 12, 818-822
4000030 CIFC28 H28 I O4 PP 21 21 2110.131; 10.131; 25.682
90; 90; 90		2635.9Bourgogne, Cyril; Fur, Yvette Le; Juen, Patrick; Masson, Patrick; Nicoud, Jean-François; Masse, René
Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores
Chemistry of Materials, 2000, 12, 1025-1033
4000031 CIFBa3 O3 S4 V2P 6310.1661; 10.1661; 5.9306
90; 90; 120		530.81Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong
Synthesis and Structural Analysis of Ba3V2O3S4
Chemistry of Materials, 2001, 13, 304-307
4000032 CIFC10 H56 N10 O29 P6 Ti3P 21 21 2110.18; 15.8992; 23.2271
90; 90; 90		3759.4Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin
Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain
Chemistry of Materials, 2001, 13, 203-207
4000033 CIFEu14 Mn P11I 41/a c d :215.93; 15.93; 21.213
90; 90; 90		5383Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.
Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~
Chemistry of Materials, 2001, 13, 1398-1406
4000034 CIFAs11 Eu14 MnI 41/a c d :216.318; 16.318; 21.684
90; 90; 90		5773.7Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.
Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~
Chemistry of Materials, 2001, 13, 1398-1406
4000035 CIFC12 H22 Cr Gd N8 O6P -17.7102; 9.4112; 16.2819
94.259; 99.989; 100.99		1135.14Kou, Hui-Zhong; Gao, Song; Sun, Bai-Wang; Zhang, Jing
Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like 4f‒3d Array
Chemistry of Materials, 2001, 13, 1431-1433
4000036 CIFC18 H16 N2 O4P 1 21 15.6171; 7.7555; 18.185
90; 94.719; 90		789.52Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.
Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics
Chemistry of Materials, 2001, 13, 1473-1479
4000037 CIFC20 H18 N2 O4P 1 21 15.3737; 7.9572; 20.561
90.001; 97.938; 89.98		870.7Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.
Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics
Chemistry of Materials, 2001, 13, 1473-1479
4000038 CIFC18 H13 N3 O4P c a 2137.17; 5.6947; 7.6038
90; 90; 90		1609.5Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.
Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics
Chemistry of Materials, 2001, 13, 1473-1479
4000039 CIFC20 H15 N3 O4P c a 2141.576; 5.4115; 7.8364
90; 90; 90		1763.1Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.
Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics
Chemistry of Materials, 2001, 13, 1473-1479
4000040 CIFC17 H13 N3 O6P 1 21/a 114.0195; 8.1263; 15.0153
90; 108.207; 90		1625Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.
Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics
Chemistry of Materials, 2001, 13, 1473-1479
4000041 CIFC19 H15 N3 O6P 1 21 112.305; 5.642; 25.979
90; 103.401; 90		1754.5Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.
Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics
Chemistry of Materials, 2001, 13, 1473-1479
4000042 CIFC14 H14 S2P 1 21/n 115.7886; 10.0214; 16.142
90; 106.046; 90		2454.5Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.
Steric Control of Conductivity in Highly Conjugated Polythiophenes
Chemistry of Materials, 2001, 13, 1665-1673
4000043 CIFC18 H18 S2P 43 21 210.6898; 10.6898; 12.909
90; 90; 90		1475.1Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.
Steric Control of Conductivity in Highly Conjugated Polythiophenes
Chemistry of Materials, 2001, 13, 1665-1673
4000044 CIFC12 H10 O S9P 1 21/a 118.593; 9.663; 10.159
90; 104.79; 90		1764.7Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi
Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals
Chemistry of Materials, 2001, 13, 1770-1777
4000045 CIFC24 H20 As F6 O4 S16P -15.086; 11.5; 15.08
99.01; 90.16; 91.09		871Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi
Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals
Chemistry of Materials, 2001, 13, 1770-1777
4000046 CIFC23 H12 N4 O2 S8P -18.0813; 24.418; 6.707
90.35; 105.766; 95.495		1267.2Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi
Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals
Chemistry of Materials, 2001, 13, 1770-1777
4000047 CIFC4 H4 Mn N8 O2P 1 21/c 16.4216; 10.099; 6.5008
90; 99.622; 90		415.66Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song; Su, Gang
A Novel Azido and Pyrazine-Dioxide Bridged Three-Dimensional Manganese(II) Network with Antiferromagnetic Ordering (TN= 62 K) and a Spin Flop State
Chemistry of Materials, 2001, 13, 1946-1948
4000048 CIFC40 H72 Cl4 Cu N2C 1 2 140.131; 7.9554; 7.2309
90; 91.71; 90		2307.5Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan
A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals
Chemistry of Materials, 2001, 13, 2032-2041
4000049 CIFC20 H36 Cl2 Cu0.5 NP 1 21/m 17.284; 16.032; 19.029
90; 92.38; 90		2220.3Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan
A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals
Chemistry of Materials, 2001, 13, 2032-2041
4000050 CIFC36 H84 Ga4 O12P 41 21 212.5566; 12.5566; 32.0324
90; 90; 90		5050.5Valet, Murielle; Hoffman, David M.
Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films
Chemistry of Materials, 2001, 13, 2135-2143
4000051 CIFC30 H66 Ga2 O6P 1 21/c 19.1778; 17.5206; 33.606
90; 93.985; 90		5390.8Valet, Murielle; Hoffman, David M.
Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films
Chemistry of Materials, 2001, 13, 2135-2143
4000052 CIFC14 H34 Ga N O3P 1 21/n 110.1444; 12.8117; 14.4492
90; 92.085; 90		1876.7Valet, Murielle; Hoffman, David M.
Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films
Chemistry of Materials, 2001, 13, 2135-2143
4000053 CIFC16 H12 N2 O4 ZnC 1 c 110.3518; 22.4134; 8.3186
90; 126.149; 90		1558.5Evans, Owen R.; Lin, Wenbin
Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks
Chemistry of Materials, 2001, 13, 2705-2712
4000054 CIFC16 H14 Cd N2 O5C 1 c 112.0137; 22.3435; 7.7738
90; 123.509; 90		1739.89Evans, Owen R.; Lin, Wenbin
Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks
Chemistry of Materials, 2001, 13, 2705-2712
4000055 CIFC24 H16 Cd N2 O4I 1 a 122.92; 28.738; 22.999
90; 94.908; 90		15093Evans, Owen R.; Lin, Wenbin
Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks
Chemistry of Materials, 2001, 13, 2705-2712
4000056 CIFC38 H31 N3 O8 Zn2P 1 21/c 122.0278; 6.7802; 24.3992
90; 105.096; 90		3518.3Evans, Owen R.; Lin, Wenbin
Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks
Chemistry of Materials, 2001, 13, 2705-2712
4000057 CIFC32 H26 Cl4 Hg N2P 1 21/n 114.9179; 12.7554; 16.3222
90; 93.89; 90		3098.7Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad
Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)
Chemistry of Materials, 2001, 13, 2743-2745
4000058 CIFC32 H26 Br2 Cl2 Hg N2P 1 21/n 115.2145; 12.7376; 16.4406
90; 94.706; 90		3175.4Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad
Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)
Chemistry of Materials, 2001, 13, 2743-2745
4000059 CIFC6 H28 Cl Co N6 O26 P6 Zn8P -3 1 c8.8775; 8.8775; 23.775
90; 90; 120		1622.7Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren
Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O
Chemistry of Materials, 2001, 13, 2972-2978
4000060 CIFC12 H56 Co2 N12 O32 P8 Zn6C 1 2/c 116.623; 30.589; 17.441
90; 90.352; 90		8868Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren
Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O
Chemistry of Materials, 2001, 13, 2972-2978
4000061 CIFC12 H8 N2 O4 ZnP 43 21 27.7094; 7.7094; 20.3266
90; 90; 90		1208.11Chemistry of Materials, 2001
4000062 CIFC12 H8 Cd N2 O4P 1 21/n 110.0548; 10.2194; 12.7326
90; 105.169; 90		1262.74Chemistry of Materials, 2001
4000063 CIFC28 H20 Cd N2 O4F d d 220.6215; 36.4257; 6.2408
90; 90; 90		4687.79Chemistry of Materials, 2001
4000064 CIFC35 H25.75 N2.25 O4.75 ZnC 1 c 121.8745; 15.1576; 32.8632
90; 102.997; 90		10617.1Chemistry of Materials, 2001
4000065 CIFC28 H22 N2 O5 ZnP 21 21 27.6251; 25.4296; 5.8625
90; 90; 90		1136.76Chemistry of Materials, 2001
4000066 CIFC24 H16 N2 O4 S2 ZnP c c a17.1501; 9.9657; 12.1082
90; 90; 90		2069.4Chemistry of Materials, 2001
4000067 CIFC13 H16 N3 O3 SP -17.2214; 7.5155; 14.9226
88.007; 82.683; 61.762		707.39Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000068 CIFC26 H32 N6 O6 S2P -17.308; 7.4666; 15.0563
90.319; 97.553; 118.995		710.08Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000069 CIFC25 H28 N3 O3 SP 1 21/n 17.5289; 12.4257; 25.4206
90; 95.539; 90		2367Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000070 CIFC23 H29 N6 O6 S2P -16.2313; 7.1774; 14.736
78.793; 89.763; 86.279		645.11Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000071 CIFC23 H29 N6 O6 S2P -16.2313; 7.1774; 14.736
78.793; 89.763; 86.279		645.11Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000072 CIFC26 H32 N6 O6 S2P n a 2117.3485; 7.4584; 21.6256
90; 90; 90		2798.2Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000073 CIFC26 H32 N6 O6 S2P n a 2117.3485; 7.4584; 21.6256
90; 90; 90		2798.2Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000074 CIFC25 H28 N3 O3 SP 1 21/n 17.5509; 25.493; 12.0573
90; 91.574; 90		2320.1Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000075 CIFC26 H32 N6 O6 S2C 1 2/c 131.569; 7.356; 12.7025
90; 109.611; 90		2778.7Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018
4000076 CIFC25 H28 N3 O3 SP 1 21/n 17.5382; 25.5444; 11.9693
90; 92.656; 90		2302.3Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
Chemistry of Materials, 2001, 13, 3018

Left arrow Left arrow First | Left arrow Previous 100 | of 37 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.