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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

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