Crystallography Open Database

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Searching volume of publication is 125

COD ID: 1000061
CIF file Formula: - Al H3 O3 -
Comments: Rothbauer, R; Zigan, F; O'Daniel, H Verfeinerung der Struktur des Bayerits, Al (O H)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 125 (1967) 317-331
Space group: P 1 21/a 1
Cell volume: 206.9
Cell parameters: 5.062; 8.671; 4.713; 90; 90.27; 90;  

COD ID: 1004115
CIF file Formula: - O11 Pb V6 -
Comments: Mentre, O; Abraham, F New mixed valence compounds in the Pb - V - O system synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11 Journal of Solid State Chemistry 125 (1996) 91-101
Space group: P 63 m c
Cell volume: 380.4
Cell parameters: 5.754; 5.754; 13.267; 90; 90; 120;  

COD ID: 1004119
CIF file Formula: - O16 Pb1.32 V8.35 -
Comments: Mentre, O; Abraham, F New mixed valence compounds in the Pb - V - O system: synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11 Journal of Solid State Chemistry 125 (1996) 91-101
Space group: I 1 1 2/m
Cell volume: 290.1
Cell parameters: 10.108; 9.887; 2.903; 90; 90; 90.84;  

COD ID: 1100015
CIF file Formula: - Al2.91 Fe0.09 H2 K O12 Si3 -
Comments: Güven, N.; Burnham, C. W. The Crystal Structure of 3T Muscovite Zeitschrift für Kristallographie 125 (1967) 163-183
Space group: P 31 1 2
Cell volume: 700.8
Cell parameters: 5.1963; 5.1963; 29.97049; 90; 90; 120;  

COD ID: 1100032
CIF file Formula: - N1.29 Ti3 -
Comments: Lengauer, W. The crystal structure of η-Ti~3~N~2-x~: An additonal new phase in the Ti-N system Journal of the Less-Common Metals 125 (1986) 127-134
Space group: R -3 m :H
Cell volume: 170.5
Cell parameters: 2.9809; 2.9809; 21.6642; 90; 90; 120;  

COD ID: 1100336
CIF file Formula: - C17 H12 Cr N2 O4 -
Comments: Dötz, Karl Heinz; Rau, Alexander; Harms, Klaus Reaktionen von Komplexliganden, IL. Synthese und Struktur fünf- und sechsgliedriger Aminocarben-C,N-Chelatkomplexe des Chroms Chemische Berichte 125(9) (1992) 2137-2142
Space group: P -1
Cell volume: 792.01
Cell parameters: 6.329; 7.805; 16.812; 77.29; 83.14; 78.75;  

COD ID: 1100337
CIF file Formula: - C14 H13 Mo N O5 -
Comments: Dötz, Karl Heinz; Larbig, Harald; Harms, Klaus Reaktionen von Komplexliganden, LI. Synthese und Reaktionen stabiler (Carben)tetracarbonyl-Chelatkomplexe des Molybdäns Chemische Berichte 125(9) (1992) 2143-2148
Space group: P 1 21/c 1
Cell volume: 1569.2
Cell parameters: 8.37; 15.438; 12.661; 90; 106.43; 90;  

COD ID: 1100339
CIF file Formula: - C25 H35 Li3 N6 O8 -
Comments: Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF} Chemische Berichte 125(1) (1992) 87-92
Space group: P 1 21/n 1
Cell volume: 3137.63
Cell parameters: 7.815; 14.467; 27.772; 90; 92.175; 90;  

COD ID: 1100340
CIF file Formula: - C13 H21 N2 Na O5 -
Comments: Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF} Chemische Berichte 125(1) (1992) 87-92
Space group: P 1 21 1
Cell volume: 803.56
Cell parameters: 7.345; 14.108; 7.785; 90; 95.065; 90;  

COD ID: 1100341
CIF file Formula: - C26 H46 N5 Na O -
Comments: Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF} Chemische Berichte 125(1) (1992) 87-92
Space group: P 21 21 21
Cell volume: 2902.78
Cell parameters: 13.312; 13.874; 15.717; 90; 90; 90;  

COD ID: 1100346
CIF file Formula: - C8 H6 F6 O6 S2 -
Comments: Scheuplein, Stefan W.; Harms, Klaus; Brückner, Reinhard; Suffert, Jean Regiocontrol in Pd(0)-Mediated Couplings of a Bis(enol triflate) with Alkynes ‒ Stereoselective Syntheses of Monocyclic Dienediynes Related to the Neocarzinostatin Chromophore Chemische Berichte 125(1) (1992) 271-278
Space group: P 1 21/c 1
Cell volume: 1340.59
Cell parameters: 9.612; 14.335; 9.814; 90; 97.53; 90;  

COD ID: 1100349
CIF file Formula: - C28 H44 Li O4 Si -
Comments: Boche, Gernot; Opel, Achim; Marsch, Michael; Harms, Klaus; Hallera, Friederike; Lohrenz, John C. W.; Thümmler, Christina; Koch, Wolfram α-Oxygen-Substituted Organolithium Compounds and Their Carbenoid Nature: Calculations of the Configurational Stability and of LiCH~2~OH Model Structures, Crystal Structure of Diphenyl(trimethylsilyloxy)methyllithium · 3 THF, and the Stereochemistry of the (Reverse) Brook Rearrangement Chemische Berichte 125(10) (1992) 2265-2273
Space group: C 1 c 1
Cell volume: 2828.04
Cell parameters: 15.3; 10.13; 19.369; 90; 109.6; 90;  

COD ID: 1100361
CIF file Formula: - C36 H46 N2 O2 Zn2 -
Comments: Bolm, Carsten; Schlingloff, Gunther; Harms, Klaus Catalyzed Enantioselective Alkylation of Aldehydes Chemische Berichte 125(5) (1992) 1191-1203
Space group: C 1 2/c 1
Cell volume: 3411.98
Cell parameters: 25.436; 10.255; 14.294; 90; 113.78; 90;  

COD ID: 1101222
CIF file Formula: - C24 H118 Al6 N16 O65 P12 Zn3 -
Comments: Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment Journal of the American Chemical Society 125 (2003) 9102-9110
Space group: P -4 3 n
Cell volume: 4736.72
Cell parameters: 16.7942; 16.7942; 16.7942; 90; 90; 90;  

COD ID: 1511319
CIF file Formula: - B Rh3 Y -
Comments: Yamauchi, H.; Fukase, T.; Takei, H.; Shishido, T.; Kobayashi, N. Magnetic and superconducting properties of the cubic perovskite Y Rh3 B Journal of the Less-Common Metals 125 (1986) 233-237
Space group: P m -3 m
Cell volume: 72.204
Cell parameters: 4.1641; 4.1641; 4.1641; 90; 90; 90;  

COD ID: 1522655
CIF file Formula: - Hg Th2 -
Comments: Palenzona, A. Th2 Hg: another representative of the Cu Al2-type structure Journal of the Less-Common Metals 125 (1986) 5-6
Space group: I 4/m c m
Cell volume: 349.566
Cell parameters: 7.696; 7.696; 5.902; 90; 90; 90;  

COD ID: 1522656
CIF file Formula: - Hg2 Th -
Comments: Palenzona, A. Th2 Hg: another representative of the Cu Al2-type structure Journal of the Less-Common Metals 125 (1986) 5-6
Space group: P 63/m m c
Cell volume: 149.776
Cell parameters: 4.822; 4.822; 7.438; 90; 90; 120;  

COD ID: 1522657
CIF file Formula: - Hg3 Th -
Comments: Palenzona, A. Th2 Hg: another representative of the Cu Al2-type structure Journal of the Less-Common Metals 125 (1986) 5-6
Space group: P 63/m m c
Cell volume: 191.481
Cell parameters: 6.716; 6.716; 4.902; 90; 90; 120;  

COD ID: 1522816
CIF file Formula: - Ni4 Ti3 -
Comments: Saburi, T.; Nenno, S.; Fukuda, T. Crystal structure and morphology of the metastable X-phase in shape memory Ti-Ni alloys Journal of the Less-Common Metals 125 (1986) 157-166
Space group: R -3 :H
Cell volume: 555.483
Cell parameters: 11.24; 11.24; 5.077; 90; 90; 120;  

COD ID: 1523161
CIF file Formula: - Ir U -
Comments: Siegrist, T.; Dommann, A.; le Page, Y.; Gramlich, V.; Hulliger, F.; Petter, W. U Ir, a Pd Bi-like distorted Cr B-type structure Journal of the Less-Common Metals 125 (1986) 167-174
Space group: P -1
Cell volume: 654.601
Cell parameters: 7.271; 10.578; 8.511; 90; 90.16; 90;  

COD ID: 1528026
CIF file Formula: - Ce Ge2 Ni -
Comments: Schobinger-Papamantellos, P.; Krimmel, A.; Grauel, A.; Buschow, K.H.J. Magnetic ordering of Nd Ni Ge2 and Ce Ni Ge2 studied by neutron diffraction and magnetic measurements Journal of Magnetism and Magnetic Materials 125 (1993) 151-156
Space group: C m c m
Cell volume: 298.345
Cell parameters: 4.2392; 16.7546; 4.2005; 90; 90; 90;  

COD ID: 1530142
CIF file Formula: - Br3 H2 K O Pb -
Comments: Keller, H.L.; Jess, I. Darstellug und Kristallstrukturuntersuchung von K Pb Br3 * H2 O Journal of the Less-Common Metals 125 (1986) 215-221
Space group: C m c 21
Cell volume: 775.355
Cell parameters: 4.414; 19.728; 8.904; 90; 90; 90;  

COD ID: 1530931
CIF file Formula: - K4 Na2 O6 Te -
Comments: Untenecker, H.; Hoppe, R. Neue Oxotellurate(VI): K4 Na2 (Te O6) Journal of the Less-Common Metals 125 (1986) 223-231
Space group: P 1 21/a 1
Cell volume: 399.934
Cell parameters: 7.255; 9.833; 6.665; 90; 122.74; 90;  

COD ID: 1533198
CIF file Formula: - Ba Cu3 Nd2 O7.33 -
Comments: Galez, P.; le Roy, J.; Bertrand, C.; Suard, E. Neutron powder diffraction study of the Nd (Ba1-x Ndx)2 Cu3 O7+d solid solution Solid State Communications 125 (2003) 89-94
Space group: C m m m
Cell volume: 687.316
Cell parameters: 7.7687; 22.959; 3.8535; 90; 90; 90;  

COD ID: 1534518
CIF file Formula: - C8 H25 F4 I N2 O2 -
Comments: Gerken, M.; Mack, J.P.; Schrobilgen, G.J.D.; Suontamo, R.J. Synthesis, vibrational and NMR spectroscopic characterization of [N (C H3)4] [I O2 F2] and x-ray crystal structure of [N (C H3)4]2 [I O2 F2] [H F2] Journal of Fluorine Chemistry 125 (2004) 1663-1670
Space group: C 1 2/m 1
Cell volume: 1523.35
Cell parameters: 14.6765; 8.6049; 13.9572; 90; 120.204; 90;  

COD ID: 1535556
CIF file Formula: - As3 Ca F15 -
Comments: Tramsek, M.; Zemva, B. Ca (As F3)(As F6)2: the first alkaline earth metal cation coordinated by As F3 Journal of Fluorine Chemistry 125 (2004) 1919-1924
Space group: P n m a
Cell volume: 1128.3
Cell parameters: 10.349; 10.017; 10.884; 90; 90; 90;  

COD ID: 1537316
CIF file Formula: - Cr O4 V -
Comments: Frazer, B.C.; Brown, P.J. Antiferromagnetic structure of Cr V O4 and the anhydrous sulfates of divalent Fe, Ni, and Co Physical Review, Section A (133,1964-188,1969) 125 (1962) 1283-1291
Space group: C m c m
Cell volume: 273.162
Cell parameters: 5.568; 8.208; 5.977; 90; 90; 90;  

COD ID: 1538607
CIF file Formula: - N1.29 Ti3 -
Comments: Lengauer, W. The crystal structure of eta-Ti3 N2-x: An additional new phase in the Ti - N system Journal of the Less-Common Metals 125 (1986) 127-134
Space group: R -3 m :H
Cell volume: 16.671
Cell parameters: 2.9809; 2.9809; 2.16642; 90; 90; 120;  

COD ID: 1538971
CIF file Formula: - Ni5 Sm -
Comments: Pasturel, A.; Achard, J.C.; Allibert, C.; Colinet, C.; Percheron-Guegan, A.; Hicter, P. A theoretical and experimental study of enthalpies of formation of LaNi5-type compounds Physica Status Solidi, Sectio B: Basic Research 125 (1984) 101-106
Space group: P 6/m m m
Cell volume: 83.638
Cell parameters: 4.926; 4.926; 3.98; 90; 90; 120;  

COD ID: 1540037
CIF file Formula: - C F3 N2 O3 S2 Se2 -
Comments: Haas, A.; Kasprowski, J.; Pryka, M. Synthese, Strukturen und Eigenschaften von Cl2TeSeN2S und (Se2N2S)2(2+) (XSO3(-))2 (X= F, CF3) Chemische Berichte 125 (1992) 789-792
Space group: P 1 21/n 1
Cell volume: 830.109
Cell parameters: 8.657; 10.783; 8.893; 90; 90.55; 90;  

COD ID: 1540038
CIF file Formula: - Cl2 N2 S Se Te -
Comments: Haas, A.; Kasprowski, J.; Pryka, M. Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3) Chemische Berichte 125 (1992) 789-792
Space group: P b c a
Cell volume: 1337.09
Cell parameters: 8.432; 7.939; 19.974; 90; 90; 90;  

COD ID: 1540126
CIF file Formula: - O5 Ta2 -
Comments: Hummel, H.U.; Fackler, R.; Remmert, P. Tantaloxide durch Gasphasenhydrolyse, Druckhydrolyse und Transportreaktion aus 2H-Ta S2: Synthesen von TT-Ta2 O5 und T-Ta2 O5 und Kristallstruktur von T-Ta2 O5 Chemische Berichte 125 (1992) 551-556
Space group: P m m 2
Cell volume: 1063.75
Cell parameters: 43.9969; 3.894; 6.209; 90; 90; 90;  

COD ID: 1541265
CIF file Formula: - B9 H11 N4 -
Comments: Mueller, J.; Paetzold, P.; Englert, U.; Runsink, J. Neue Wege zum Aza-nido-decaboran-Geruest Chemische Berichte 125 (1992) 97-102
Space group: P 1 21/c 1
Cell volume: 949.549
Cell parameters: 8.318; 5.951; 19.265; 90; 95.3; 90;  

COD ID: 1545190
CIF file Formula: - Eu2 O7 Zr2 -
Comments: Hagiwara, T.; Nomura, K.; Kageyama, H. Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 1173 K Journal of the Ceramic Society of Japan 125 (2017) 65-70
Space group: F d -3 m
Cell volume: 1207.9
Cell parameters: 10.65; 10.65; 10.65; 90; 90; 90;  

COD ID: 1545191
CIF file Formula: - Eu2 O7 Zr2 -
Comments: Hagiwara, T.; Nomura, K.; Kageyama, H. Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 298 K Journal of the Ceramic Society of Japan 125 (2017) 65-70
Space group: F d -3 m
Cell volume: 1172.91
Cell parameters: 10.546; 10.546; 10.546; 90; 90; 90;  

COD ID: 1545192
CIF file Formula: - La2 O7 Zr2 -
Comments: Hagiwara, T.; Nomura, K.; Kageyama, H. Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 298 K Journal of the Ceramic Society of Japan 125 (2017) 65-70
Space group: F d -3 m
Cell volume: 1265.3
Cell parameters: 10.816; 10.816; 10.816; 90; 90; 90;  

COD ID: 1545193
CIF file Formula: - La2 O7 Zr2 -
Comments: Hagiwara, T.; Nomura, K.; Kageyama, H. Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 1173 K Journal of the Ceramic Society of Japan 125 (2017) 65-70
Space group: F d -3 m
Cell volume: 1296.5
Cell parameters: 10.904; 10.904; 10.904; 90; 90; 90;  

COD ID: 1545673
CIF file Formula: - Al6 O16 S Sr4 -
Comments: Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K. Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 298 K Journal of the Ceramic Society of Japan 125 (2017) 364-370
Space group: P c c 2
Cell volume: 1664.99
Cell parameters: 13.3231; 13.3242; 9.37918; 90; 90; 90;  

COD ID: 1545674
CIF file Formula: - Al6 O16 S Sr4 -
Comments: Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K. Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 573 K Journal of the Ceramic Society of Japan 125 (2017) 364-370
Space group: I 2 3
Cell volume: 837.391
Cell parameters: 9.42561; 9.42561; 9.42561; 90; 90; 90;  

COD ID: 1545676
CIF file Formula: - Fe Li O6 Si2 -
Comments: Ishida, N.; Sakatsume, K.; Kitamura, N.; Idemoto, Y. Improvement of electrochemical property of pyroxene-type LiFeSi2O6 and crystal-structure analysis Journal of the Ceramic Society of Japan 125 (2017) 281-286
Space group: C 1 2/c 1
Cell volume: 416.641
Cell parameters: 9.66794; 8.67141; 5.29192; 90; 110.094; 90;  

COD ID: 1545715
CIF file Formula: - La3 Li6.5 O12 Sn1.5 Ta0.5 -
Comments: Hamao, N.; Kataoka, K.; Akimoto, J. Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides Journal of the Ceramic Society of Japan 125 (2017) 272-275
Space group: I a -3 d
Cell volume: 2147.82
Cell parameters: 12.90227; 12.90227; 12.90227; 90; 90; 90;  

COD ID: 1545716
CIF file Formula: - Hf1.5 La3 Li6.5 O12 Ta0.5 -
Comments: Hamao, N.; Kataoka, K.; Akimoto, J. Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides Journal of the Ceramic Society of Japan 125 (2017) 272-275
Space group: I a -3 d
Cell volume: 2163.41
Cell parameters: 12.93341; 12.93341; 12.93341; 90; 90; 90;  

COD ID: 1546943
CIF file Formula: - Al2 O5 Ti -
Comments: Ohta, Y.; Kawauchi, Y.; Ban, T. Cation distribution of pseudobrookite-type titanates and their phase stability Journal of the Ceramic Society of Japan 125 (2017) 695-700
Space group: B b m m
Cell volume: 326.91
Cell parameters: 9.4359; 9.6425; 3.593; 90; 90; 90;  

COD ID: 1547847
CIF file Formula: - Ba N Nb O2 -
Comments: Fujii, K.; Shimada, K.; Yashima, M. Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction Journal of the Ceramic Society of Japan 125 (2017) 808-810
Space group: P m -3 m
Cell volume: 70.3575
Cell parameters: 4.12829; 4.12829; 4.12829; 90; 90; 90;  

COD ID: 1547848
CIF file Formula: - N Nb O2 Sr -
Comments: Fujii, K.; Shimada, K.; Yashima, M. Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction Journal of the Ceramic Society of Japan 125 (2017) 808-810
Space group: I 4/m c m
Cell volume: 264.279
Cell parameters: 5.71115; 5.71115; 8.10243; 90; 90; 90;  

COD ID: 1547849
CIF file Formula: - Ag0.93 H1.88 O3.91 Ta -
Comments: Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C. Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate Journal of the Ceramic Society of Japan 125 (2017) 776-778
Space group: F d -3 m
Cell volume: 1141.17
Cell parameters: 10.45; 10.45; 10.45; 90; 90; 90;  

COD ID: 1547850
CIF file Formula: - Ag0.41 Nb0.59 O1.68 -
Comments: Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C. Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate Journal of the Ceramic Society of Japan 125 (2017) 776-778
Space group: F m -3 m
Cell volume: 147.7
Cell parameters: 5.286; 5.286; 5.286; 90; 90; 90;  

COD ID: 1559931
CIF file Formula: - O384 Si192 Zn35.75 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15150.4
Cell parameters: 24.7443; 24.7443; 24.7443; 90; 90; 90;  

COD ID: 1559932
CIF file Formula: - O394.64 Si192 Zn38.54 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15071.4
Cell parameters: 24.7012; 24.7012; 24.7012; 90; 90; 90;  

COD ID: 1559933
CIF file Formula: - O384 Si192 Zn37.08 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15131.9
Cell parameters: 24.7342; 24.7342; 24.7342; 90; 90; 90;  

COD ID: 1559934
CIF file Formula: - O384 Si192 Zn36.44 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15144.2
Cell parameters: 24.7409; 24.7409; 24.7409; 90; 90; 90;  

COD ID: 1559935
CIF file Formula: - O384 Si192 Zn37 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15136.5
Cell parameters: 24.7367; 24.7367; 24.7367; 90; 90; 90;  

COD ID: 1559936
CIF file Formula: - O384 Si192 Zn35.93 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15130.4
Cell parameters: 24.7334; 24.7334; 24.7334; 90; 90; 90;  

COD ID: 1559937
CIF file Formula: - O393.88 Si192 Zn37.67 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15080.2
Cell parameters: 24.706; 24.706; 24.706; 90; 90; 90;  

COD ID: 1559938
CIF file Formula: - O384 Si192 Zn35.51 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15160.2
Cell parameters: 24.7496; 24.7496; 24.7496; 90; 90; 90;  

COD ID: 1559939
CIF file Formula: - O389.23 Si192 Zn36.1 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15126
Cell parameters: 24.731; 24.731; 24.731; 90; 90; 90;  

COD ID: 1559940
CIF file Formula: - O389.95 Si192 Zn35.28 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15128.4
Cell parameters: 24.7323; 24.7323; 24.7323; 90; 90; 90;  

COD ID: 1559941
CIF file Formula: - O384 Si192 Zn36.19 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15162.4
Cell parameters: 24.7508; 24.7508; 24.7508; 90; 90; 90;  

COD ID: 1559942
CIF file Formula: - O393.73 Si192 Zn37.59 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15074.5
Cell parameters: 24.7029; 24.7029; 24.7029; 90; 90; 90;  

COD ID: 1559943
CIF file Formula: - O384 Si192 Zn35.75 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15171.4
Cell parameters: 24.7557; 24.7557; 24.7557; 90; 90; 90;  

COD ID: 1559944
CIF file Formula: - O384 Si192 Zn36.82 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15148.1
Cell parameters: 24.743; 24.743; 24.743; 90; 90; 90;  

COD ID: 1559945
CIF file Formula: - O389.83 Si192 Zn35.41 -
Comments: Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15129.2
Cell parameters: 24.7327; 24.7327; 24.7327; 90; 90; 90;  

COD ID: 1560267
CIF file Formula: - C180 H138 Ag14 Cl6 F6 P8 Pt S6 -
Comments: Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui Correlating Kernel–Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters The Journal of Physical Chemistry C 125(3) (2021) 2194-2201
Space group: C 1 2/c 1
Cell volume: 40185
Cell parameters: 48.002; 35.012; 30.277; 90; 127.84; 90;  

COD ID: 1560268
CIF file Formula: - C180 H138 Ag14 Cl6 F6 P8 Pt S6 -
Comments: Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui Correlating Kernel–Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters The Journal of Physical Chemistry C 125(3) (2021) 2194-2201
Space group: C 1 2/c 1
Cell volume: 39711
Cell parameters: 47.8113; 34.9302; 30.1732; 90; 127.995; 90;  

COD ID: 1560269
CIF file Formula: - C216 H140 Ag24 Cl20 F20 P4 Pt S20 -
Comments: Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters The Journal of Physical Chemistry C 125(3) (2021) 2194-2201
Space group: P -1
Cell volume: 6378.7
Cell parameters: 18.9452; 19.2539; 20.0639; 89.647; 67.76; 71.704;  

COD ID: 1560748
CIF file Formula: - C12 H20 Cl2 N4 O2 S -
Comments: Takahashi, Masae; Kowada, Mitsuru; Matsui, Hiroshi; Kwon, Eunsang; Ikemoto, Yuka Temperature-Dependent Low-Frequency Vibrations of Thiamine Crystal Containing Hydrated Ions. The journal of physical chemistry. A 125(9) (2021) 1837-1844
Space group: P 1 21/n 1
Cell volume: 1650.5
Cell parameters: 6.966; 20.504; 11.68; 90; 98.372; 90;  

COD ID: 1560808
CIF file Formula: - C32 H28 N4 O4 -
Comments: Goodlett, Dustin W.; Sindt, Ammon J.; Hossain, Muhammad Saddam; Merugu, Rajkumar; Smith, Mark D.; Garashchuk, Sophya; Gudmundsdottir, Anna D.; Shimizu, Linda S. From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation. The journal of physical chemistry. A 125(6) (2021) 1336-1344
Space group: P 1 21/n 1
Cell volume: 1319.84
Cell parameters: 4.5196; 37.0928; 7.9294; 90; 96.848; 90;  

COD ID: 1560840
CIF file Formula: - C37 H25 N O -
Comments: Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei Organic Micro-/Nanocrystals of SFX-Based Attractor–Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement The Journal of Physical Chemistry C 125(11) (2021) 6249-6259
Space group: P 1 21/n 1
Cell volume: 2656
Cell parameters: 16.7002; 8.989; 17.8237; 90; 96.9476; 90;  

COD ID: 1560841
CIF file Formula: - C49 H34 N2 O -
Comments: Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei Organic Micro-/Nanocrystals of SFX-Based Attractor–Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement The Journal of Physical Chemistry C 125(11) (2021) 6249-6259
Space group: P -1
Cell volume: 1775
Cell parameters: 10.445; 11.048; 15.689; 97.771; 96.286; 94.504;  

COD ID: 1561001
CIF file Formula: - C28 H24 N6 O9 -
Comments: Saha, Monochura; Bandyopadhyay, Subhajit Stimuli Responsive Stable Radical Anion for Conductance Switching The Journal of Physical Chemistry C 125(11) (2021) 6427-6432
Space group: P 21 21 21
Cell volume: 2699.9
Cell parameters: 9.1686; 11.5792; 25.431; 90; 90; 90;  

COD ID: 1561127
CIF file Formula: - Na Ni O6 Pr W -
Comments: P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C 125(12) (2021) 6749-6757
Space group: P 1 21 1
Cell volume: 235.11
Cell parameters: 5.4858; 5.4827; 7.81681; 90; 90.123; 90;  

COD ID: 1561128
CIF file Formula: - Na Nd Ni O6 W -
Comments: P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C 125(12) (2021) 6749-6757
Space group: P 1 21 1
Cell volume: 233.827
Cell parameters: 5.45987; 5.4814; 7.81308; 90; 90.164; 90;  

COD ID: 1561129
CIF file Formula: - Gd Na Ni O6 W -
Comments: P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C 125(12) (2021) 6749-6757
Space group: P 1 21 1
Cell volume: 229.534
Cell parameters: 5.37618; 5.48688; 7.78128; 90; 90.2441; 90;  

COD ID: 1561130
CIF file Formula: - Na Ni O6 Sm W -
Comments: P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C 125(12) (2021) 6749-6757
Space group: P 1 21 1
Cell volume: 231.343
Cell parameters: 5.41399; 5.47939; 7.7985; 90; 90.2542; 90;  

COD ID: 1561131
CIF file Formula: - Na Ni O6 Tb W -
Comments: P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C 125(12) (2021) 6749-6757
Space group: P 1 21 1
Cell volume: 228.683
Cell parameters: 5.35966; 5.48918; 7.77309; 90; 90.2581; 90;  

COD ID: 1561132
CIF file Formula: - Eu Na Ni O6 W -
Comments: P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C 125(12) (2021) 6749-6757
Space group: P 1 21 1
Cell volume: 230.65
Cell parameters: 5.39582; 5.48536; 7.79284; 90; 90.2646; 90;  

COD ID: 1561133
CIF file Formula: - La Na Ni O6 W -
Comments: P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C 125(12) (2021) 6749-6757
Space group: P 1 21 1
Cell volume: 238.48
Cell parameters: 5.5156; 5.5153; 7.83952; 90; 90.137; 90;  

COD ID: 1561942
CIF file Formula: - C20 H20 Br N5 O8 Ru S3 -
Comments: Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J. Nanooptomechanical Transduction in a Single Crystal with 100% Photoconversion The Journal of Physical Chemistry C 125(16) (2021) 8907-8915
Space group: P -1
Cell volume: 1375.7
Cell parameters: 8.4255; 12.3597; 13.7917; 104.032; 98.783; 90.292;  

COD ID: 1562381
CIF file Formula: - Lu Mn Na O6 W -
Comments: P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C 125(19) (2021) 10803-10809
Space group: P 1 21 1
Cell volume: 233.936
Cell parameters: 5.34558; 5.55762; 7.87444; 90; 90.2851; 90;  

COD ID: 1562382
CIF file Formula: - Co Lu Na O6 W -
Comments: P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C 125(19) (2021) 10803-10809
Space group: P 1 21 1
Cell volume: 226.78
Cell parameters: 5.30219; 5.50632; 7.76771; 90; 90.2633; 90;  

COD ID: 1562383
CIF file Formula: - Co Na O6 Tm W -
Comments: P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C 125(19) (2021) 10803-10809
Space group: P 1 21 1
Cell volume: 228.144
Cell parameters: 5.32174; 5.51366; 7.77534; 90; 90.2722; 90;  

COD ID: 1562384
CIF file Formula: - Co Na O6 W Yb -
Comments: P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C 125(19) (2021) 10803-10809
Space group: P 1 21 1
Cell volume: 227.441
Cell parameters: 5.31027; 5.51156; 7.7711; 90; 90.2794; 90;  

COD ID: 1562385
CIF file Formula: - Co Er Na O6 W -
Comments: P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C 125(19) (2021) 10803-10809
Space group: P 1 21 1
Cell volume: 229.133
Cell parameters: 5.33407; 5.51959; 7.78263; 90; 90.2676; 90;  

COD ID: 1562675
CIF file Formula: - C9 H17 Br3 N2 Pb -
Comments: Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C 125(20) (2021) 10850-10859
Space group: P 1 21/c 1
Cell volume: 1471
Cell parameters: 11.434; 16.592; 7.918; 90; 101.679; 90;  

COD ID: 1562676
CIF file Formula: - C6 H12 Br3 N2 Pb -
Comments: Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C 125(20) (2021) 10850-10859
Space group: P n m a
Cell volume: 1256
Cell parameters: 7.941; 9.783; 16.168; 90; 90; 90;  

COD ID: 1562677
CIF file Formula: - C7 H12 Br3 N2 Pb -
Comments: Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C 125(20) (2021) 10850-10859
Space group: P b c a
Cell volume: 2613.36
Cell parameters: 17.6424; 7.7315; 19.1592; 90; 90; 90;  

COD ID: 1562678
CIF file Formula: - C10 H23 Br3 N2 O Pb -
Comments: Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C 125(20) (2021) 10850-10859
Space group: P 1 21/c 1
Cell volume: 1807.8
Cell parameters: 10.2578; 23.1688; 7.7621; 90; 101.481; 90;  

COD ID: 1562684
CIF file Formula: - C24 H20 Cl3 N4 O0.6 -
Comments: Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating The Journal of Physical Chemistry C 125(20) (2021) 10991-10997
Space group: P -1
Cell volume: 548.7
Cell parameters: 7.047; 8.9611; 9.4376; 76.52; 71.24; 86.47;  

COD ID: 1562685
CIF file Formula: - C12 H10 Cl1.19 N2 O0.4 -
Comments: Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating The Journal of Physical Chemistry C 125(20) (2021) 10991-10997
Space group: C 1 2/m 1
Cell volume: 2191.1
Cell parameters: 7.0475; 27.97; 11.386; 90; 102.511; 90;  

COD ID: 1563145
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 482.7
Cell parameters: 8.7239; 8.507; 6.5045; 90; 90.697; 90;  

COD ID: 1563146
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 649.4
Cell parameters: 8.327; 9.205; 8.4719; 90; 90.299; 90;  

COD ID: 1563147
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 502.3
Cell parameters: 8.8127; 8.643; 6.5945; 90; 90.534; 90;  

COD ID: 1563148
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 537.86
Cell parameters: 8.83268; 8.7958; 6.92308; 90; 90.0647; 90;  

COD ID: 1563149
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 673.9
Cell parameters: 8.2829; 9.301; 8.7479; 90; 90.324; 90;  

COD ID: 1563150
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 696.65
Cell parameters: 8.3477; 9.3692; 8.9074; 90; 90.318; 90;  

COD ID: 1563151
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 471
Cell parameters: 8.5901; 8.483; 6.464; 90; 89.13; 90;  

COD ID: 1563152
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 526.71
Cell parameters: 8.8272; 8.735; 6.8311; 90; 90.177; 90;  

COD ID: 1563153
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 491.7
Cell parameters: 8.7767; 8.564; 6.5417; 90; 90.501; 90;  

COD ID: 1563154
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 687.34
Cell parameters: 8.3189; 9.3438; 8.8428; 90; 90.322; 90;  

COD ID: 1563155
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 666.7
Cell parameters: 8.2768; 9.2699; 8.6896; 90; 90.34; 90;  

COD ID: 1563156
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression The Journal of Physical Chemistry C 125(23) (2021) 13014-13023
Space group: P 1 21/c 1
Cell volume: 510.68
Cell parameters: 8.8562; 8.672; 6.6496; 90; 90.452; 90;  

COD ID: 1563411
CIF file Formula: - C2 H6 B F4 Li O2 S -
Comments: Ugata, Yosuke; Sasagawa, Shohei; Tatara, Ryoichi; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru Structural Effects of Solvents on Li-Ion-Hopping Conduction in Highly Concentrated LiBF<sub>4</sub>/Sulfone Solutions. The journal of physical chemistry. B 125(24) (2021) 6600-6608
Space group: P 21 21 21
Cell volume: 758.6
Cell parameters: 5.1068; 8.5769; 17.3195; 90; 90; 90;  

COD ID: 1564305
CIF file Formula: - C4 H6 O3 -
Comments: Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides Journal of Physical Chemistry 125 (2021) 3368-3384
Space group: P -1
Cell volume: 993.032
Cell parameters: 8.8991; 9.1263; 13.7411; 102.509; 94.403; 112.207;  

COD ID: 1564306
CIF file Formula: - C8 H14 O3 -
Comments: Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides Journal of Physical Chemistry 125 (2021) 3368-3384
Space group: C 1 2/c 1
Cell volume: 1773.18
Cell parameters: 9.732; 6.8118; 26.969; 90; 97.3425; 90;  

COD ID: 1564307
CIF file Formula: - C6 H10 O3 -
Comments: Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides Journal of Physical Chemistry 125 (2021) 3368-3384
Space group: P 1 21/c 1
Cell volume: 692.633
Cell parameters: 9.5742; 7.399; 10.2346; 90; 107.188; 90;  

COD ID: 1564308
CIF file Formula: - C6 H10 O3 -
Comments: Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides Journal of Physical Chemistry 125 (2021) 3368-3384
Space group: P 1 21 1
Cell volume: 703.58
Cell parameters: 4.8902; 28.1219; 5.1787; 90; 98.915; 90;  

COD ID: 1564315
CIF file Formula: - C7 H7 N3 O3 -
Comments: Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ. The journal of physical chemistry. A 125(31) (2021) 6697-6702
Space group: P c a 21
Cell volume: 783.6
Cell parameters: 10.2828; 9.526; 7.9993; 90; 90; 90;  

COD ID: 1564536
CIF file Formula: - C16 H24 Cl2 Rh2 -
Comments: Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts. The journal of physical chemistry. A 125(34) (2021) 7473-7488
Space group: P 1 21/n 1
Cell volume: 1677.37
Cell parameters: 7.29534; 25.43886; 9.04309; 90; 91.8695; 90;  

COD ID: 1564537
CIF file Formula: - C16 H24 Cl2 Ir2 -
Comments: Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts. The journal of physical chemistry. A 125(34) (2021) 7473-7488
Space group: P b c a
Cell volume: 3378.59
Cell parameters: 15.18382; 13.64566; 16.30646; 90; 90; 90;  

COD ID: 1564538
CIF file Formula: - C19.8 H24.8 N2 O3.6 -
Comments: Chaker, Ziyad; Chervy, Pierre; Boulard, Yves; Bressanelli, Stéphane; Retailleau, Pascal; Paternostre, Maité; Charpentier, Thibault Systematic Method for the Exploration, Representation, and Classification of the Diphenylalanine Solvatomorphic Space. The journal of physical chemistry. B 125(33) (2021) 9454-9466
Space group: P 21 21 2
Cell volume: 4150.9
Cell parameters: 24.6363; 16.8157; 10.0197; 90; 90; 90;  

COD ID: 1564806
CIF file Formula: - C40 H32 Dy2 N6 O18 -
Comments: Dolai, Malay; Moreno-Pineda, Eufemio; Wernsdorfer, Wolfgang; Ali, Mahammad; Ghosh, Ashutosh Exchange-Bias Quantum Tunneling of the Magnetization in a Dysprosium Dimer. The journal of physical chemistry. A 125(37) (2021) 8230-8237
Space group: P 1 21/n 1
Cell volume: 2135
Cell parameters: 10.5497; 17.112; 12.0241; 90; 100.401; 90;  

COD ID: 1564807
CIF file Formula: - C41 H36 I2 N4 O2 -
Comments: Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S. Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines The Journal of Physical Chemistry C 125(36) (2021) 19991-20002
Space group: P 1 21/c 1
Cell volume: 3590.7
Cell parameters: 14.8483; 26.8994; 9.0681; 90; 97.531; 90;  

COD ID: 1564808
CIF file Formula: - C39 H32 Cl2 N4 O -
Comments: Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S. Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines The Journal of Physical Chemistry C 125(36) (2021) 19991-20002
Space group: P c c n
Cell volume: 3296.6
Cell parameters: 18.4725; 19.8765; 8.9785; 90; 90; 90;  

COD ID: 1564809
CIF file Formula: - C19 H16 I N5 O8 Ru S3 -
Comments: Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex The Journal of Physical Chemistry C 125(36) (2021) 20059-20066
Space group: P -1
Cell volume: 1427
Cell parameters: 8.503; 12.437; 14.17; 105.555; 98.36; 90.075;  

COD ID: 1564810
CIF file Formula: - C19 H16 I N5 O8 Ru S3 -
Comments: Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex The Journal of Physical Chemistry C 125(36) (2021) 20059-20066
Space group: P -1
Cell volume: 1414
Cell parameters: 8.4103; 12.454; 14.17; 105.337; 98.52; 90.33;  

COD ID: 1564811
CIF file Formula: - C19 H12 I N5 O8 Ru S3 -
Comments: Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex The Journal of Physical Chemistry C 125(36) (2021) 20059-20066
Space group: P -1
Cell volume: 1419.5
Cell parameters: 8.3091; 12.5928; 13.8952; 99.446; 97.962; 90.617;  

COD ID: 1565114
CIF file Formula: - C74 H71 N2 O2 -
Comments: Usta, Hakan; Cosut, Bunyemin; Alkan, Fahri Understanding and Tailoring Excited State Properties in Solution-Processable Oligo(<i>p</i>-phenyleneethynylene)s: Highly Fluorescent Hybridized Local and Charge Transfer Character via Experiment and Theory. The journal of physical chemistry. B 125(42) (2021) 11717-11731
Space group: P -1
Cell volume: 2887.3
Cell parameters: 10.1344; 11.872; 24.645; 89.272; 83.728; 78.417;  

COD ID: 1565115
CIF file Formula: - C30 H19 Cl N2 -
Comments: Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect The Journal of Physical Chemistry C 125(41) (2021) 22848-22855
Space group: C 1 c 1
Cell volume: 2203.5
Cell parameters: 16.6705; 13.9677; 9.4774; 90; 93.11; 90;  

COD ID: 1565116
CIF file Formula: - C30 H19 Cl N2 -
Comments: Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect The Journal of Physical Chemistry C 125(41) (2021) 22848-22855
Space group: P 1 21/n 1
Cell volume: 4429
Cell parameters: 9.2405; 29.612; 16.2931; 90; 96.573; 90;  

COD ID: 1565117
CIF file Formula: - C30 H19 Cl N2 -
Comments: Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect The Journal of Physical Chemistry C 125(41) (2021) 22848-22855
Space group: P -1
Cell volume: 3410.7
Cell parameters: 9.2679; 14.4507; 25.754; 89.104; 88.444; 81.598;  

COD ID: 1565118
CIF file Formula: - C30 H19 Cl N2 -
Comments: Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect The Journal of Physical Chemistry C 125(41) (2021) 22848-22855
Space group: P -1
Cell volume: 3408.5
Cell parameters: 9.2641; 14.4485; 25.7528; 89.128; 88.531; 81.574;  

COD ID: 1565119
CIF file Formula: - C16 H14 Cl2 N6 S -
Comments: Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals The Journal of Physical Chemistry C 125(40) (2021) 22346-22353
Space group: P 1 21/c 1
Cell volume: 1759.9
Cell parameters: 10.5351; 14.631; 11.9513; 90; 107.187; 90;  

COD ID: 1565120
CIF file Formula: - C4 H3.5 N2 O1.5 S0.25 -
Comments: Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals The Journal of Physical Chemistry C 125(40) (2021) 22346-22353
Space group: P -1
Cell volume: 904.19
Cell parameters: 8.3523; 8.8031; 13.6886; 77.895; 76.682; 68.795;  

COD ID: 1565121
CIF file Formula: - C16 H13 Cl N6 S -
Comments: Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals The Journal of Physical Chemistry C 125(40) (2021) 22346-22353
Space group: P -1
Cell volume: 799.6
Cell parameters: 8.1317; 8.2472; 13.369; 81.667; 80.676; 65.115;  

COD ID: 1565524
CIF file Formula: - Fe2.67 O8 W1.33 -
Comments: Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs The Journal of Physical Chemistry C 125(46) (2021) 25907-25916
Space group: P b c n
Cell volume: 127.149
Cell parameters: 4.58111; 5.59297; 4.96249; 90; 90; 90;  

COD ID: 1565525
CIF file Formula: - C22 H10 N4 -
Comments: Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals The Journal of Physical Chemistry C 125(46) (2021) 25462-25469
Space group: P 1 21/c 1
Cell volume: 830.201
Cell parameters: 7.9798; 7.2523; 14.3587; 90; 92.458; 90;  

COD ID: 1565526
CIF file Formula: - C28 H14 N4 -
Comments: Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals The Journal of Physical Chemistry C 125(46) (2021) 25462-25469
Space group: P 1 21/c 1
Cell volume: 1042
Cell parameters: 7.1725; 10.0841; 14.7504; 90; 102.395; 90;  

COD ID: 1565527
CIF file Formula: - C26 H12 N4 -
Comments: Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals The Journal of Physical Chemistry C 125(46) (2021) 25462-25469
Space group: P 1 21/c 1
Cell volume: 905.99
Cell parameters: 7.0091; 9.4292; 13.9875; 90; 101.465; 90;  

COD ID: 1565528
CIF file Formula: - C28 H20 F4 N6 -
Comments: Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior The Journal of Physical Chemistry C 125(46) (2021) 25816-25824
Space group: P 1 21/m 1
Cell volume: 1208.06
Cell parameters: 6.6691; 22.8845; 8.3705; 90; 108.977; 90;  

COD ID: 1565529
CIF file Formula: - C28 H20 F4 N6 -
Comments: Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior The Journal of Physical Chemistry C 125(46) (2021) 25816-25824
Space group: P 1 21/m 1
Cell volume: 1194.32
Cell parameters: 6.62655; 22.8918; 8.33673; 90; 109.195; 90;  

COD ID: 1565530
CIF file Formula: - C28 H20 F4 N6 -
Comments: Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior The Journal of Physical Chemistry C 125(46) (2021) 25816-25824
Space group: P 1 21/m 1
Cell volume: 1183.36
Cell parameters: 6.58484; 22.9103; 8.31003; 90; 109.278; 90;  

COD ID: 1565531
CIF file Formula: - C28 H20 F4 N6 -
Comments: Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior The Journal of Physical Chemistry C 125(46) (2021) 25816-25824
Space group: P 1 21/m 1
Cell volume: 1190.87
Cell parameters: 6.6095; 22.9174; 8.3274; 90; 109.247; 90;  

COD ID: 1565532
CIF file Formula: - C20 H36 Cl7 N4 O2 Sb -
Comments: Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence The Journal of Physical Chemistry C 125(45) (2021) 25112-25118
Space group: C 1 2/c 1
Cell volume: 3443.33
Cell parameters: 15.8872; 27.0504; 8.1864; 90; 101.837; 90;  

COD ID: 1565533
CIF file Formula: - C20 H32 Cl7 N4 Sb -
Comments: Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence The Journal of Physical Chemistry C 125(45) (2021) 25112-25118
Space group: C 1 2/c 1
Cell volume: 2949.92
Cell parameters: 12.743; 28.0958; 8.4578; 90; 103.048; 90;  

COD ID: 1565896
CIF file Formula: - Cl5 Cs2 H2 In O -
Comments: Kshirsagar, Anuraj S.; Arfin, Habibul; Banerjee, Srijita; Mondal, Barnali; Nag, Angshuman Colloidal Sb3±Doped Cs2InCl5·H2O Perovskite Nanocrystals with Temperature-Dependent Luminescence The Journal of Physical Chemistry C 125(50) (2021) 27671-27677
Space group: P n m a
Cell volume: 1079.59
Cell parameters: 14.2798; 10.3222; 7.3243; 90; 90; 90;  

COD ID: 1565897
CIF file Formula: - C13 H8 F N -
Comments: Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives The Journal of Physical Chemistry C 125(49) (2021) 27489-27496
Space group: P b c a
Cell volume: 2011.54
Cell parameters: 11.7566; 7.5793; 22.5745; 90; 90; 90;  

COD ID: 1565898
CIF file Formula: - C13 H8 Br N -
Comments: Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives The Journal of Physical Chemistry C 125(49) (2021) 27489-27496
Space group: P 1 21/n 1
Cell volume: 2091.6
Cell parameters: 9.4587; 14.6067; 15.293; 90; 98.149; 90;  

COD ID: 1565899
CIF file Formula: - C13 H8 Br N -
Comments: Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives The Journal of Physical Chemistry C 125(49) (2021) 27489-27496
Space group: P 1 21/n 1
Cell volume: 2105.82
Cell parameters: 9.4825; 14.6148; 15.3482; 90; 98.097; 90;  

COD ID: 1565900
CIF file Formula: - C13 H8 Cl N -
Comments: Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives The Journal of Physical Chemistry C 125(49) (2021) 27489-27496
Space group: P 1 21 1
Cell volume: 509.13
Cell parameters: 3.7723; 11.1607; 12.1361; 90; 94.841; 90;  

COD ID: 1565901
CIF file Formula: - C51 H40 Cd2 N9 O9 -
Comments: Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF) The Journal of Physical Chemistry C 125(49) (2021) 27230-27240
Space group: P 1 21/n 1
Cell volume: 4433.7
Cell parameters: 14.0129; 21.0765; 15.0463; 90; 93.872; 90;  

COD ID: 1565902
CIF file Formula: - C18 H9 N2 O4 Zn -
Comments: Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF) The Journal of Physical Chemistry C 125(49) (2021) 27230-27240
Space group: P -1
Cell volume: 1132.87
Cell parameters: 10.2597; 10.8766; 10.9289; 93.653; 109.577; 97.147;  

COD ID: 4103739
CIF file Formula: - C32 H40 N4 O12 Si -
Comments: Okba Saied; Thierry Maris; James D. Wuest Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals Journal of the American Chemical Society 125 (2003) 14956-14957
Space group: P 42/n :2
Cell volume: 1875.12
Cell parameters: 15.6466; 15.6466; 7.6593; 90; 90; 90;  

COD ID: 4103740
CIF file Formula: - C36 H48 N4 O12 Si -
Comments: Okba Saied; Thierry Maris; James D. Wuest Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals Journal of the American Chemical Society 125 (2003) 14956-14957
Space group: P 42/n :2
Cell volume: 2103.11
Cell parameters: 15.4599; 15.4599; 8.7993; 90; 90; 90;  

COD ID: 4103741
CIF file Formula: - C40 H56 N4 O12 Si -
Comments: Okba Saied; Thierry Maris; James D. Wuest Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals Journal of the American Chemical Society 125 (2003) 14956-14957
Space group: P 42/n :2
Cell volume: 2276.9
Cell parameters: 15.413; 15.413; 9.5845; 90; 90; 90;  

COD ID: 4103742
CIF file Formula: - C36 H48 N4 O12 Si -
Comments: Okba Saied; Thierry Maris; James D. Wuest Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals Journal of the American Chemical Society 125 (2003) 14956-14957
Space group: P 42/n :2
Cell volume: 2291
Cell parameters: 15.465; 15.465; 9.578; 90; 90; 90;  

COD ID: 4103743
CIF file Formula: - C25 H24 B4 O8 -
Comments: Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction Journal of the American Chemical Society 125 (2003) 1002-1006
Space group: I 41/a :2
Cell volume: 4699
Cell parameters: 10.627; 10.627; 41.608; 90; 90; 90;  

COD ID: 4103744
CIF file Formula: - C24 H24 B4 O8 Si -
Comments: Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction Journal of the American Chemical Society 125 (2003) 1002-1006
Space group: I 41/a :2
Cell volume: 5355.6
Cell parameters: 10.837; 10.837; 45.603; 90; 90; 90;  

COD ID: 4113363
CIF file Formula: - C21 H33 B8 N2 P -
Comments: Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes Journal of the American Chemical Society 125 (2003) 200-211
Space group: P 1 21/c 1
Cell volume: 2503.12
Cell parameters: 10.7136; 16.1166; 14.4975; 90; 90.555; 90;  

COD ID: 4113364
CIF file Formula: - C16 H31 B8 N2 P -
Comments: Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes Journal of the American Chemical Society 125 (2003) 200-211
Space group: P 1 21/n 1
Cell volume: 2239.98
Cell parameters: 13.9467; 15.8609; 10.3485; 90; 101.898; 90;  

COD ID: 4113365
CIF file Formula: - C25 H43 B8 N2 O P S -
Comments: Alexandra M. Shedlow; Daniel E. Kadlecek; Jude C. Clapper; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon Syntheses, Crystallographic/Computational Characterizations, and Reactions of the First 10-Vertex arachno- and nido-Phosphamonocarbaboranes Journal of the American Chemical Society 125 (2003) 200-211
Space group: P 1 21/c 1
Cell volume: 3028.2
Cell parameters: 11.445; 10.723; 25.458; 90; 104.249; 90;  

COD ID: 4113366
CIF file Formula: - C12 H16 B8 Mn O5 P -
Comments: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 Journal of the American Chemical Society 125 (2003) 212-220
Space group: P 1 21/c 1
Cell volume: 1954.93
Cell parameters: 10.1307; 14.8154; 13.2955; 90; 101.577; 90;  

COD ID: 4113367
CIF file Formula: - C14 H21 B8 Fe O2 P -
Comments: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 Journal of the American Chemical Society 125 (2003) 212-220
Space group: P 21 21 21
Cell volume: 1914.35
Cell parameters: 11.8876; 17.2869; 9.3156; 90; 90; 90;  

COD ID: 4113368
CIF file Formula: - C12 H19 B8 Fe P -
Comments: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 Journal of the American Chemical Society 125 (2003) 212-220
Space group: P -1
Cell volume: 819.29
Cell parameters: 7.8825; 16.0671; 6.9036; 96.392; 106.633; 78.401;  

COD ID: 4113369
CIF file Formula: - C7 H17 B8 Fe P -
Comments: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 Journal of the American Chemical Society 125 (2003) 212-220
Space group: C 1 2/c 1
Cell volume: 2618.28
Cell parameters: 26.0242; 8.1266; 14.3484; 90; 120.364; 90;  

COD ID: 4113370
CIF file Formula: - C12 H22 B8 Fe2 P -
Comments: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 Journal of the American Chemical Society 125 (2003) 212-220
Space group: P 1 21/n 1
Cell volume: 1721.29
Cell parameters: 9.2231; 13.4955; 13.9081; 90; 96.117; 90;  

COD ID: 4113371
CIF file Formula: - C91 H102 B16 Cl12 P6 Pt2 -
Comments: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 Journal of the American Chemical Society 125 (2003) 212-220
Space group: P 1 21/n 1
Cell volume: 5061.4
Cell parameters: 12.4084; 18.0854; 22.7549; 90; 97.616; 90;  

COD ID: 4113372
CIF file Formula: - C43 H45 B8 P3 Pt -
Comments: Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 Journal of the American Chemical Society 125 (2003) 212-220
Space group: P -1
Cell volume: 2072.77
Cell parameters: 11.9097; 17.2245; 10.7383; 99.385; 107.444; 88.53;  

COD ID: 4113373
CIF file Formula: - C15 H16 Cl4 O2 Sn -
Comments: Kazuaki Ishihara; Daisuke Nakashima; Yukihiro Hiraiwa; Hisashi Yamamoto The Crystallographic Structure of a Lewis Acid-Assisted Chiral Brønsted Acid as an Enantioselective Protonation Reagent for Silyl Enol Ethers Journal of the American Chemical Society 125 (2003) 24-25
Space group: P 21 21 21
Cell volume: 1899.15
Cell parameters: 8.9736; 14.2108; 14.8927; 90; 90; 90;  

COD ID: 4113374
CIF file Formula: - C32 H90 N6 O2 Si8 Tm2 -
Comments: William J. Evans; Gaël Zucchi; Joseph W. Ziller Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands Journal of the American Chemical Society 125 (2003) 10-11
Space group: P 1 21/n 1
Cell volume: 2685.18
Cell parameters: 10.7744; 23.4795; 11.5031; 90; 112.671; 90;  

COD ID: 4113375
CIF file Formula: - C32 H88 Dy2 N6 O2 Si8 -
Comments: William J. Evans; Gaël Zucchi; Joseph W. Ziller Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands Journal of the American Chemical Society 125 (2003) 10-11
Space group: P 1 21/n 1
Cell volume: 2713.53
Cell parameters: 10.8445; 23.4461; 11.5625; 90; 112.631; 90;  

COD ID: 4113376
CIF file Formula: - C88 H148 N2 Nd2 O12 -
Comments: William J. Evans; Gaël Zucchi; Joseph W. Ziller Dinitrogen Reduction by Tm(II), Dy(II), and Nd(II) with Simple Amide and Aryloxide Ligands Journal of the American Chemical Society 125 (2003) 10-11
Space group: P -1
Cell volume: 2213.4
Cell parameters: 12.2314; 12.9321; 15.1594; 74.053; 82.652; 74.06;  

COD ID: 4113377
CIF file Formula: - C24 H12 Cl4 Fe O10 S8 -
Comments: Kunimitsu Nagayoshi; Md. Khayrul Kabir; Hiroshi Tobita; Kenji Honda; Mitsuhiro Kawahara; Motomi Katada; Keiichi Adachi; Hiroyuki Nishikawa; Isao Ikemoto; Hitoshi Kumagai; Yuko Hosokoshi; Katsuya Inoue; Susumu Kitagawa; Satoshi Kawata Design of Novel Inorganic-Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests Journal of the American Chemical Society 125 (2003) 221-232
Space group: C 1 2/m 1
Cell volume: 1657.6
Cell parameters: 7.184; 17.077; 13.744; 90; 100.56; 90;  

COD ID: 4113378
CIF file Formula: - C32 H34 Cl4 Fe2 O10 -
Comments: Kunimitsu Nagayoshi; Md. Khayrul Kabir; Hiroshi Tobita; Kenji Honda; Mitsuhiro Kawahara; Motomi Katada; Keiichi Adachi; Hiroyuki Nishikawa; Isao Ikemoto; Hitoshi Kumagai; Yuko Hosokoshi; Katsuya Inoue; Susumu Kitagawa; Satoshi Kawata Design of Novel Inorganic-Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests Journal of the American Chemical Society 125 (2003) 221-232
Space group: P -1
Cell volume: 826.4
Cell parameters: 9.32; 13.228; 7.333; 97.08; 112.9; 86.5;  

COD ID: 4113379
CIF file Formula: - C28 H43 N O6 S -
Comments: Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues Journal of the American Chemical Society 125 (2003) 26-27
Space group: P 21 21 21
Cell volume: 2842.1
Cell parameters: 9.845; 11.5335; 25.0299; 90; 90; 90;  

COD ID: 4113380
CIF file Formula: - C28 H45 N O6 S -
Comments: Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues Journal of the American Chemical Society 125 (2003) 26-27
Space group: P 1
Cell volume: 715.52
Cell parameters: 6.4227; 9.8743; 11.3325; 84.945; 88.118; 89.872;  

COD ID: 4113381
CIF file Formula: - C66 H71 F12 Fe N7 O10 P2 -
Comments: Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand Journal of the American Chemical Society 125 (2003) 28-29
Space group: R -3 c :H
Cell volume: 20560.5
Cell parameters: 13.7573; 13.7573; 125.44; 90; 90; 120;  

COD ID: 4113382
CIF file Formula: - C68 H72 Cl Cs F12 Fe N8 O13 P2 -
Comments: Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand Journal of the American Chemical Society 125 (2003) 28-29
Space group: P 1 21/n 1
Cell volume: 7452
Cell parameters: 22.896; 13.887; 24.427; 90; 106.36; 90;  

COD ID: 4113383
CIF file Formula: - C8 H14 O3 -
Comments: Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell Journal of the American Chemical Society 125 (2003) 34-35
Space group: P n a 21
Cell volume: 851.7
Cell parameters: 21.184; 6.824; 5.892; 90; 90; 90;  

COD ID: 4113384
CIF file Formula: - C8 H14 O3 -
Comments: Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell Journal of the American Chemical Society 125 (2003) 34-35
Space group: P n 21 a
Cell volume: 851.6
Cell parameters: 21.185; 6.826; 5.889; 90; 90; 90;  

COD ID: 4113385
CIF file Formula: - C14 H28 F6 Fe2 N O3 P3 S2 -
Comments: Xuan Zhao; Chao-Yi Chiang; Matthew L. Miller; Marilyn V. Rampersad; Marcetta Y. Darensbourg Activation of Alkenes and H2 by [Fe]-H2ase Model Complexes Journal of the American Chemical Society 125 (2003) 518-524
Space group: P 1 21/c 1
Cell volume: 5061.5
Cell parameters: 17.516; 28.565; 10.116; 90; 90.112; 90;  

COD ID: 4113386
CIF file Formula: - C15 H26 F3 Fe2 O7 P2 S3 -
Comments: Xuan Zhao; Chao-Yi Chiang; Matthew L. Miller; Marilyn V. Rampersad; Marcetta Y. Darensbourg Activation of Alkenes and H2 by [Fe]-H2ase Model Complexes Journal of the American Chemical Society 125 (2003) 518-524
Space group: P -1
Cell volume: 2591.8
Cell parameters: 11.046; 16.325; 16.485; 117.955; 97.071; 91.898;  

COD ID: 4113387
CIF file Formula: - C71 H69 B Fe P4 -
Comments: Steven D. Brown; Theodore A. Betley; Jonas C. Peters A Low-Spin d5 Iron Imide: Nitrene Capture by Low-Coordinate Iron(I) Provides the 4-Coordinate Fe(III) Complex [PhB(CH2PPh2)3]Fe\τbN-p-tolyl Journal of the American Chemical Society 125 (2003) 322-323
Space group: P b c a
Cell volume: 12023.3
Cell parameters: 20.2596; 17.7356; 33.4617; 90; 90; 90;  

COD ID: 4113388
CIF file Formula: - C19 H32 N7 O4 P -
Comments: Carsten Schmuck; Wolfgang Wienand Highly Stable Self-Assembly in Water: Ion Pair Driven Dimerization of a Guanidiniocarbonyl Pyrrole Carboxylate Zwitterion Journal of the American Chemical Society 125 (2003) 452-459
Space group: P -1
Cell volume: 1116.7
Cell parameters: 10.462; 10.576; 11.877; 110.13; 92.23; 112.6;  

COD ID: 4113389
CIF file Formula: - C26 H39 N3 O5 -
Comments: Carsten Schmuck; Wolfgang Wienand Highly Stable Self-Assembly in Water: Ion Pair Driven Dimerization of a Guanidiniocarbonyl Pyrrole Carboxylate Zwitterion Journal of the American Chemical Society 125 (2003) 452-459
Space group: C 1 2/c 1
Cell volume: 5115.4
Cell parameters: 37.752; 4.815; 28.406; 90; 97.83; 90;  

COD ID: 4113390
CIF file Formula: - C81 H72 Cl2 F12 N10 O2 Pt3 Sb2 -
Comments: Andrew J. Goshe; Ian M. Steele; B. Bosnich Supramolecular Recognition. Terpyridyl Palladium and Platinum Molecular Clefts and Their Association with Planar Platinum Complexes Journal of the American Chemical Society 125 (2003) 444-451
Space group: P -1
Cell volume: 4330.3
Cell parameters: 10.5; 19.809; 21.842; 98.52; 96.69; 102.7;  

COD ID: 4113391
CIF file Formula: - C24 H37 B F4 I O7.5 -
Comments: Masahito Ochiai; Takashi Suefuji; Kazunori Miyamoto; Norihiro Tada; Satoru Goto; Motoo Shiro; Shigeru Sakamoto; Kentaro Yamaguchi Secondary Hypervalent I(III)...O Interactions: Synthesis and Structure of Hypervalent Complexes of Diphenyl-λ3-iodanes with 18-Crown-6 Journal of the American Chemical Society 125 (2003) 769-773
Space group: P 1 21/n 1
Cell volume: 2836.6
Cell parameters: 9.544; 21.21; 14.297; 90; 101.446; 90;  

COD ID: 4113392
CIF file Formula: - C36 H44 B2 F8 I2 O6 -
Comments: Masahito Ochiai; Takashi Suefuji; Kazunori Miyamoto; Norihiro Tada; Satoru Goto; Motoo Shiro; Shigeru Sakamoto; Kentaro Yamaguchi Secondary Hypervalent I(III)...O Interactions: Synthesis and Structure of Hypervalent Complexes of Diphenyl-λ3-iodanes with 18-Crown-6 Journal of the American Chemical Society 125 (2003) 769-773
Space group: P 1 21/c 1
Cell volume: 1967.86
Cell parameters: 9.5023; 24.527; 9.5248; 90; 117.567; 90;  

COD ID: 4113393
CIF file Formula: - C21 H35 Cl2 N P Si Ta -
Comments: Stuart R. Dubberley; Stanislav K. Ignatov; Nicholas H. Rees; Alexei G. Razuvaev; Philip Mountford; Georgii I. Nikonov Are J(Si-H) NMR Coupling Constants Really a Probe for the Existence of Nonclassical H-Si Interactions? Journal of the American Chemical Society 125 (2003) 642-643
Space group: P b c a
Cell volume: 5075.8
Cell parameters: 16.331; 17.298; 17.968; 90; 90; 90;  

COD ID: 4113394
CIF file Formula: - C43 H29 B Cu F20 N5 -
Comments: Christiana Xin Zhang; Hong-Chang Liang; Eun-il Kim; Jason Shearer; Matthew E. Helton; Eunsuk Kim; Susan Kaderli; Christopher D. Incarvito; Andreas D. Zuberbühler; Arnold L. Rheingold; Kenneth D. Karlin Tuning Copper-Dioxygen Reactivity and Exogenous Substrate Oxidations via Alterations in Ligand Electronics Journal of the American Chemical Society 125 (2003) 634-635
Space group: P -1
Cell volume: 2094.91
Cell parameters: 12.4161; 14.4522; 14.4784; 112.733; 109.719; 101.041;  

COD ID: 4113395
CIF file Formula: - C43 H26 B Cu F20 N4 O2 -
Comments: Christiana Xin Zhang; Hong-Chang Liang; Eun-il Kim; Jason Shearer; Matthew E. Helton; Eunsuk Kim; Susan Kaderli; Christopher D. Incarvito; Andreas D. Zuberbühler; Arnold L. Rheingold; Kenneth D. Karlin Tuning Copper-Dioxygen Reactivity and Exogenous Substrate Oxidations via Alterations in Ligand Electronics Journal of the American Chemical Society 125 (2003) 634-635
Space group: P -1
Cell volume: 2122
Cell parameters: 12.765; 12.811; 13.946; 95.816; 103.002; 104.417;  

COD ID: 4113396
CIF file Formula: - C14 H22 Au F6 N2 P -
Comments: Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence Journal of the American Chemical Society 125 (2003) 1033-1040
Space group: P 1 21/c 1
Cell volume: 1805.2
Cell parameters: 6.3644; 16.9806; 16.7224; 90; 92.693; 90;  

COD ID: 4113397
CIF file Formula: - C14 H22 Au F6 N2 P -
Comments: Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence Journal of the American Chemical Society 125 (2003) 1033-1040
Space group: P 21 21 21
Cell volume: 7247.4
Cell parameters: 11.5235; 24.1416; 26.0516; 90; 90; 90;  

COD ID: 4113398
CIF file Formula: - C4 H6 Au F6 N2 P -
Comments: Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence Journal of the American Chemical Society 125 (2003) 1033-1040
Space group: P a -3
Cell volume: 943.99
Cell parameters: 9.8097; 9.8097; 9.8097; 90; 90; 90;  

COD ID: 4113399
CIF file Formula: - C36 H22 Cl4 N4 Na2 O4 -
Comments: Annie J. Middleton; William J. Marshall; Nora S. Radu Elucidation of the Structure of a Highly Efficient Blue Electroluminescent Material Journal of the American Chemical Society 125 (2003) 880-881
Space group: P 1 21/n 1
Cell volume: 1666.5
Cell parameters: 15.6269; 6.2166; 17.1546; 90; 90.067; 90;  

COD ID: 4113400
CIF file Formula: - C30 H41 Cl N2 Ni -
Comments: Benjamin R. Dible; Matthew S. Sigman Unusual Reactivity of Molecular Oxygen with π-Allylnickel(N-heterocyclic carbene) Chloride Complexes Journal of the American Chemical Society 125 (2003) 872-873
Space group: P 1 21/c 1
Cell volume: 2934.3
Cell parameters: 12.4456; 14.6922; 16.5225; 90; 103.775; 90;  

COD ID: 4113401
CIF file Formula: - C54 H74 Cl2 N4 Ni2 O2 -
Comments: Benjamin R. Dible; Matthew S. Sigman Unusual Reactivity of Molecular Oxygen with π-Allylnickel(N-heterocyclic carbene) Chloride Complexes Journal of the American Chemical Society 125 (2003) 872-873
Space group: P 1 21/n 1
Cell volume: 2713.65
Cell parameters: 12.3078; 16.8989; 14.1714; 90; 112.976; 90;  

COD ID: 4113402
CIF file Formula: - C12 H34 N2 Se2 Si2 Zn -
Comments: Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2] Journal of the American Chemical Society 125 (2003) 864-865
Space group: P 1 21/n 1
Cell volume: 2273.11
Cell parameters: 8.4454; 14.3403; 18.7691; 90; 90.112; 90;  

COD ID: 4113403
CIF file Formula: - C86 H150 Cd11 N10 O5 Se19 Zn5 -
Comments: Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2] Journal of the American Chemical Society 125 (2003) 864-865
Space group: P b c a
Cell volume: 29373
Cell parameters: 17.3933; 36.592; 46.151; 90; 90; 90;  

COD ID: 4113404
CIF file Formula: - C77 H133 Cd11 N10 O2 Te19 Zn5 -
Comments: Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2] Journal of the American Chemical Society 125 (2003) 864-865
Space group: P -1
Cell volume: 6293.9
Cell parameters: 18.2135; 19.0174; 22.9457; 67.153; 67.873; 62.286;  

COD ID: 4113405
CIF file Formula: - C74 H24 F30 N10 O2 -
Comments: Alagar Srinivasan; Tomoya Ishizuka; Atsuhiro Osuka; Hiroyuki Furuta Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that Complexes Bis-metals in the Core Journal of the American Chemical Society 125 (2003) 878-879
Space group: P 1 21/c 1
Cell volume: 3416.6
Cell parameters: 11.7719; 12.2522; 24.011; 90; 80.591; 90;  

COD ID: 4113406
CIF file Formula: - C66 H10 F30 N6 Ni2 O2 -
Comments: Alagar Srinivasan; Tomoya Ishizuka; Atsuhiro Osuka; Hiroyuki Furuta Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that Complexes Bis-metals in the Core Journal of the American Chemical Society 125 (2003) 878-879
Space group: P 1 21/n 1
Cell volume: 6238.4
Cell parameters: 11.8948; 17.819; 29.433; 90; 89.829; 90;  

COD ID: 4113407
CIF file Formula: - C50 H58 B Cl5 F4 O Os P2 Si2 -
Comments: Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes Journal of the American Chemical Society 125 (2003) 884-885
Space group: P -1
Cell volume: 2805.6
Cell parameters: 12.1352; 13.9997; 17.118; 80.135; 78.298; 88.082;  

COD ID: 4113408
CIF file Formula: - C43.5 H39 Cl5 Os P2 -
Comments: Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes Journal of the American Chemical Society 125 (2003) 884-885
Space group: P 1 21/c 1
Cell volume: 3970.5
Cell parameters: 10.0243; 22.59; 17.5821; 90; 94.246; 90;  

COD ID: 4113409
CIF file Formula: - C42 H34 Br4 Os P2 -
Comments: Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes Journal of the American Chemical Society 125 (2003) 884-885
Space group: P b c a
Cell volume: 7747.9
Cell parameters: 19.0283; 18.9544; 21.4819; 90; 90; 90;  

COD ID: 4113410
CIF file Formula: - C31 H39 Cl2 N5 O2 S Zn -
Comments: Jennifer N. Smith; Zahida Shirin; Carl J. Carrano Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies Journal of the American Chemical Society 125 (2003) 868-869
Space group: P 1 21/n 1
Cell volume: 3310.5
Cell parameters: 10.915; 13.024; 23.832; 90; 102.27; 90;  

COD ID: 4113411
CIF file Formula: - C22 H29 N5 O S2 Zn -
Comments: Jennifer N. Smith; Zahida Shirin; Carl J. Carrano Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies Journal of the American Chemical Society 125 (2003) 868-869
Space group: P 1 21/c 1
Cell volume: 2404.3
Cell parameters: 10.356; 13.93; 16.68; 90; 92.29; 90;  

COD ID: 4113412
CIF file Formula: - C23 H32 B F4 N5 O S2 Zn -
Comments: Jennifer N. Smith; Zahida Shirin; Carl J. Carrano Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies Journal of the American Chemical Society 125 (2003) 868-869
Space group: P 1 21/n 1
Cell volume: 2802.8
Cell parameters: 13.78; 13.386; 15.197; 90; 91.05; 90;  

COD ID: 4113413
CIF file Formula: - C26 H26 N5 O3 S Zn -
Comments: Jennifer N. Smith; Zahida Shirin; Carl J. Carrano Control of Thiolate Nucleophilicity and Specificity in Zinc Metalloproteins by Hydrogen Bonding: Lessons from Model Compound Studies Journal of the American Chemical Society 125 (2003) 868-869
Space group: P 1 21/c 1
Cell volume: 2796.87
Cell parameters: 17.9119; 9.8395; 17.074; 90; 111.652; 90;  

COD ID: 4113414
CIF file Formula: - C20 H22 O2 -
Comments: David F. Cauble; John D. Gipson; Michael J. Krische Diastereo- and Enantioselective Catalytic Carbometallative Aldol Cycloreduction: Tandem Conjugate Addition-Aldol Cyclization Journal of the American Chemical Society 125 (2003) 1110-1111
Space group: P -1
Cell volume: 784.47
Cell parameters: 5.8655; 10.3184; 13.7171; 77.207; 88.146; 75.752;  

COD ID: 4113415
CIF file Formula: - C23 H31 Fe N2 P S2 -
Comments: Prasanta Ghosh; Eckhard Bill; Thomas Weyhermüller; Frank Neese; Karl Wieghardt Noninnocence of the Ligand Glyoxal-bis(2-mercaptoanil). The Electronic Structures of [Fe(gma)]2, [Fe(gma)(py)].py, [Fe(gma)(CN)]1-/0, [Fe(gma)I], and [Fe(gma)(PR3)n] (n= 1, 2). Experimental and Theoretical Evidence for "Excited State" Coordination Journal of the American Chemical Society 125 (2003) 1293-1308
Space group: P 21 21 21
Cell volume: 2355.3
Cell parameters: 8.31; 15.6828; 18.0724; 90; 90; 90;  

COD ID: 4113416
CIF file Formula: - Ga10 S19 -
Comments: Nanfeng Zheng; Xianhui Bu; Pingyun Feng Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices Journal of the American Chemical Society 125 (2003) 1138-1139
Space group: C 1 2/c 1
Cell volume: 12647
Cell parameters: 35.903; 18.501; 21.183; 90; 115.992; 90;  

COD ID: 4113417
CIF file Formula: - Ga26 S51 Zn4 -
Comments: Nanfeng Zheng; Xianhui Bu; Pingyun Feng Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices Journal of the American Chemical Society 125 (2003) 1138-1139
Space group: I 41/a :2
Cell volume: 15822
Cell parameters: 21.087; 21.087; 35.582; 90; 90; 90;  

COD ID: 4113418
CIF file Formula: - Ga16 S33 Zn4 -
Comments: Nanfeng Zheng; Xianhui Bu; Pingyun Feng Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices Journal of the American Chemical Society 125 (2003) 1138-1139
Space group: I 41/a c d :2
Cell volume: 20883
Cell parameters: 22.595; 22.595; 40.905; 90; 90; 90;  

COD ID: 4113419
CIF file Formula: - Ga10 S18 -
Comments: Nanfeng Zheng; Xianhui Bu; Pingyun Feng Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices Journal of the American Chemical Society 125 (2003) 1138-1139
Space group: I 41/a c d :2
Cell volume: 10992
Cell parameters: 19.201; 19.201; 29.815; 90; 90; 90;  

COD ID: 4113420
CIF file Formula: - Ga10 S18 -
Comments: Nanfeng Zheng; Xianhui Bu; Pingyun Feng Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices Journal of the American Chemical Society 125 (2003) 1138-1139
Space group: I 41/a c d :2
Cell volume: 11033
Cell parameters: 19.22; 19.22; 29.866; 90; 90; 90;  

COD ID: 4113421
CIF file Formula: - Ga4.5 In5.5 S18 -
Comments: Nanfeng Zheng; Xianhui Bu; Pingyun Feng Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices Journal of the American Chemical Society 125 (2003) 1138-1139
Space group: I 41/a c d :2
Cell volume: 12047
Cell parameters: 19.7145; 19.7145; 30.995; 90; 90; 90;  

COD ID: 4113422
CIF file Formula: - In5 S9 -
Comments: Nanfeng Zheng; Xianhui Bu; Pingyun Feng Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices Journal of the American Chemical Society 125 (2003) 1138-1139
Space group: I 41/a c d :2
Cell volume: 13208
Cell parameters: 20.318; 20.318; 31.994; 90; 90; 90;  

COD ID: 4113423
CIF file Formula: - C24 H33 Cl Cu N4 O5.5 S -
Comments: Matthew E. Helton; Peng Chen; Partha P. Paul; Zoltán Tyeklár; Roger D. Sommer; Lev N. Zakharov; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin Reaction of Elemental Sulfur with a Copper(I) Complex Forming a trans-μ-1,2 End-On Disulfide Complex: New Directions in Copper-Sulfur Chemistry Journal of the American Chemical Society 125 (2003) 1160-1161
Space group: P 41 21 2
Cell volume: 5251.5
Cell parameters: 16.973; 16.973; 18.229; 90; 90; 90;  

COD ID: 4113424
CIF file Formula: - C21 H24 Cl3 N2 O V -
Comments: Colin D. Abernethy; Gareth M. Codd; Mark D. Spicer; Michelle K. Taylor A Highly Stable N-Heterocyclic Carbene Complex of Trichloro-oxo-vanadium(V) Displaying Novel Cl-Ccarbene Bonding Interactions Journal of the American Chemical Society 125 (2003) 1128-1129
Space group: P -1
Cell volume: 1097.39
Cell parameters: 7.8641; 8.2857; 18.2282; 102.388; 91.132; 108.175;  

COD ID: 4113425
CIF file Formula: - C26 H36 Cl2 Si W -
Comments: David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates Journal of the American Chemical Society 125 (2003) 1403-1420
Space group: P 1 21 1
Cell volume: 1263.1
Cell parameters: 9.567; 10.217; 13.598; 90; 108.139; 90;  

COD ID: 4113426
CIF file Formula: - C21 H34 Si W -
Comments: David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates Journal of the American Chemical Society 125 (2003) 1403-1420
Space group: P n m a
Cell volume: 2005.5
Cell parameters: 10.257; 14.744; 13.261; 90; 90; 90;  

COD ID: 4113427
CIF file Formula: - C26 H36 Si W -
Comments: David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates Journal of the American Chemical Society 125 (2003) 1403-1420
Space group: P 1 21/m 1
Cell volume: 1142.2
Cell parameters: 8.599; 11.415; 11.722; 90; 96.926; 90;  

COD ID: 4113428
CIF file Formula: - C20 H32 Si W -
Comments: David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates Journal of the American Chemical Society 125 (2003) 1403-1420
Space group: P -1
Cell volume: 1920.75
Cell parameters: 10.2075; 13.2638; 15.3878; 102.851; 106.165; 95.854;  

COD ID: 4113429
CIF file Formula: - C22 H36 Si W -
Comments: David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates Journal of the American Chemical Society 125 (2003) 1403-1420
Space group: P n m a
Cell volume: 2037.37
Cell parameters: 10.161; 14.9215; 13.4376; 90; 90; 90;  

COD ID: 4113430
CIF file Formula: - C68 H89.33 N4 Ni O9 -
Comments: Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins Journal of the American Chemical Society 125 (2003) 1253-1268
Space group: P 1 21 1
Cell volume: 11511
Cell parameters: 16.367; 43.536; 16.507; 90; 101.856; 90;  

COD ID: 4113431
CIF file Formula: - C102.5 H135 N6 Ni1.5 O13.5 -
Comments: Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins Journal of the American Chemical Society 125 (2003) 1253-1268
Space group: C 2 2 21
Cell volume: 23052
Cell parameters: 20.795; 25.6061; 43.291; 90; 90; 90;  

COD ID: 4113432
CIF file Formula: - C60.5 H74.75 N4.25 Ni O9 -
Comments: Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins Journal of the American Chemical Society 125 (2003) 1253-1268
Space group: P 1 21 1
Cell volume: 6212.2
Cell parameters: 16.8288; 19.5869; 20.0979; 90; 110.327; 90;  

COD ID: 4113433
CIF file Formula: - C61.25 H77.5 N4 Ni O9.5 -
Comments: Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins Journal of the American Chemical Society 125 (2003) 1253-1268
Space group: P 21 21 21
Cell volume: 12080.4
Cell parameters: 12.8373; 23.787; 39.5612; 90; 90; 90;  

COD ID: 4113434
CIF file Formula: - C19 H20 F6 O7 Ru S2 -
Comments: Elsa L. Velarde; Rosary A. Stephen; Rena N. Mansour; Linh T. Hoang; David J. Burkey Remarkably Favorable Hydration of Carbonyl Substituents in Dicationic Bis(arene) Ruthenium Complexes Journal of the American Chemical Society 125 (2003) 1188-1189
Space group: P 1 21/n 1
Cell volume: 2356.9
Cell parameters: 11.038; 11.68; 18.45; 90; 97.76; 90;  

COD ID: 4113435
CIF file Formula: - C5 H5 Cu O3 -
Comments: Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand Journal of the American Chemical Society 125 (2003) 1152-1153
Space group: P 1 21/n 1
Cell volume: 1200
Cell parameters: 10.45; 7.565; 15.61; 90; 103.45; 90;  

COD ID: 4113436
CIF file Formula: - C8 H7 Cl Cu N O -
Comments: Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand Journal of the American Chemical Society 125 (2003) 1152-1153
Space group: P 1 21/c 1
Cell volume: 834.4
Cell parameters: 10.474; 6.166; 13.777; 90; 110.312; 90;  

COD ID: 4113437
CIF file Formula: - C23 H21 Cu2 N2 O7 -
Comments: Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand Journal of the American Chemical Society 125 (2003) 1152-1153
Space group: P 1 21/c 1
Cell volume: 2080.5
Cell parameters: 11.965; 7.09; 26.6; 90; 112.783; 90;  

COD ID: 4113438
CIF file Formula: - Os3 Sc14 Te8 -
Comments: Ling Chen; John D. Corbett Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os) Journal of the American Chemical Society 125 (2003) 1170-1171
Space group: P 4/m n c
Cell volume: 1179.49
Cell parameters: 11.4008; 11.4008; 9.0745; 90; 90; 90;  

COD ID: 4113439
CIF file Formula: - Ru3 Sc14 Te8 -
Comments: Ling Chen; John D. Corbett Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M = Ru, Os) Journal of the American Chemical Society 125 (2003) 1170-1171
Space group: P 4/m n c
Cell volume: 1166.16
Cell parameters: 11.3332; 11.3332; 9.0793; 90; 90; 90;  

COD ID: 4113440
CIF file Formula: - C42 H46 B O P3 Pd -
Comments: Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds Journal of the American Chemical Society 125 (2003) 1180-1181
Space group: P 1 21 1
Cell volume: 1961.8
Cell parameters: 9.9307; 15.139; 13.712; 90; 107.892; 90;  

COD ID: 4113441
CIF file Formula: - C42 H46 B O P3 Pd -
Comments: Jillian R. Moncarz; Tim J. Brunker; David S. Glueck; Roger D. Sommer; Arnold L. Rheingold Stereochemistry of Palladium-Mediated Synthesis of PAMP-BH3: Retention of Configuration at P in Formation of Pd-P and P-C Bonds Journal of the American Chemical Society 125 (2003) 1180-1181
Space group: P 1 21 1
Cell volume: 1980.3
Cell parameters: 9.9565; 17.8335; 11.1574; 90; 91.672; 90;  

COD ID: 4113442
CIF file Formula: - C62 H73 B N8 O4 Zn -
Comments: David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes Journal of the American Chemical Society 125 (2003) 1607-1617
Space group: P -1
Cell volume: 6092
Cell parameters: 14.23; 17.95; 25.171; 80.091; 75.019; 82.382;  

COD ID: 4113443
CIF file Formula: - C17 H25 N2 O4 -
Comments: David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes Journal of the American Chemical Society 125 (2003) 1607-1617
Space group: P -1
Cell volume: 828.99
Cell parameters: 6.8165; 10.0414; 12.702; 86.415; 78.737; 76.502;  

COD ID: 4113444
CIF file Formula: - C56 H69 B Co N8 O4 -
Comments: David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes Journal of the American Chemical Society 125 (2003) 1607-1617
Space group: P 1 21/c 1
Cell volume: 5367
Cell parameters: 12.582; 17.693; 24.37; 90; 98.401; 90;  

COD ID: 4113445
CIF file Formula: - C57 H71 B Cu N8 O5 -
Comments: David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes Journal of the American Chemical Society 125 (2003) 1607-1617
Space group: P -1
Cell volume: 2628.4
Cell parameters: 12.2081; 13.2504; 17.3758; 96.958; 105.603; 99.577;  

COD ID: 4113446
CIF file Formula: - C56 H69 B Mn N8 O4 -
Comments: David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes Journal of the American Chemical Society 125 (2003) 1607-1617
Space group: P 1 21/c 1
Cell volume: 5321
Cell parameters: 12.828; 17.777; 24.075; 90; 104.274; 90;  

COD ID: 4113447
CIF file Formula: - C56 H69 B N8 Ni O4 -
Comments: David A. Shultz; Kira E. Vostrikova; Scot H. Bodnar; Hyun-Joo Koo; Myung-Hwan Whangbo; Martin L. Kirk; Ezra C. Depperman; Jeff W. Kampf Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes Journal of the American Chemical Society 125 (2003) 1607-1617
Space group: P -1
Cell volume: 2604.6
Cell parameters: 12.1536; 13.2557; 17.3931; 96.801; 107.518; 98.335;  

COD ID: 4113448
CIF file Formula: - C31.5 H12 Cl15 Fe -
Comments: Imma Ratera; Daniel Ruiz-Molina; Franz Renz; Jürgen Ensling; Klaus Wurst; Concepció Rovira; Philipp Gütlich; Jaume Veciana A New Valence Tautomerism Example in an Electroactive Ferrocene Substituted Triphenylmethyl Radical Journal of the American Chemical Society 125 (2003) 1462-1463
Space group: P -1
Cell volume: 1795.89
Cell parameters: 8.8771; 14.4198; 15.5546; 109.2; 97.008; 102.408;  

COD ID: 4113449
CIF file Formula: - C22 H38 Ni O P2 -
Comments: Juan Cámpora; Celia M. Maya; Pilar Palma; Ernesto Carmona; Enrique Gutiérrez-Puebla; Caridad Ruiz Synthesis and Aldol Reactivity of O- and C-Enolate Complexes of Nickel Journal of the American Chemical Society 125 (2003) 1482-1483
Space group: P 1 21/c 1
Cell volume: 4618.8
Cell parameters: 20.717; 12.898; 19.394; 90; 116.966; 90;  

COD ID: 4113450
CIF file Formula: - C29 H43 Al N2 S2 -
Comments: Vojtech Jancik; Ying Peng; Herbert W. Roesky; Jiyang Li; Dante Neculai; Ana M. Neculai; Regine Herbst-Irmer The First Structurally Characterized Aluminum Compound with Two SH Groups: [LAl(SH)2] (L = N(Ar)C(Me)CHC(Me)N(Ar), Ar = 2,6-i-Pr2C6H3) and the Catalytic Properties of the Sulfur P(NMe2)3 System Journal of the American Chemical Society 125 (2003) 1452-1453
Space group: P n m a
Cell volume: 2923.4
Cell parameters: 12.685; 22.058; 10.448; 90; 90; 90;  

COD ID: 4113451
CIF file Formula: - C33 H38 B Ir N6 O9 -
Comments: Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes Journal of the American Chemical Society 125 (2003) 1478-1479
Space group: P 1 21/n 1
Cell volume: 3528.1
Cell parameters: 7.9871; 21.0604; 21.0566; 90; 95.072; 90;  

COD ID: 4113452
CIF file Formula: - C34 H46 B Cl2 Ir N6 O14 -
Comments: Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes Journal of the American Chemical Society 125 (2003) 1478-1479
Space group: P 1 21/n 1
Cell volume: 4233
Cell parameters: 10.697; 23.316; 16.9755; 90; 91.199; 90;  

COD ID: 4113453
CIF file Formula: - C29 H38 B Ir N6 O8 -
Comments: Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes Journal of the American Chemical Society 125 (2003) 1478-1479
Space group: P -1
Cell volume: 1543.9
Cell parameters: 10.0964; 10.9412; 15.692; 81.541; 85.535; 64.231;  

COD ID: 4113454
CIF file Formula: - C37 H50 B Ir N6 O10 -
Comments: Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes Journal of the American Chemical Society 125 (2003) 1478-1479
Space group: P -1
Cell volume: 1959.9
Cell parameters: 10.8078; 11.2313; 16.667; 86.748; 85.128; 76.649;  

COD ID: 4113455
CIF file Formula: - C33 H38 B Ir N6 O9 -
Comments: Eleuterio Álvarez; Margarita Gómez; Margarita Paneque; Cristina M. Posadas; Manuel L. Poveda; Nuria Rendón; Laura L. Santos; Susana Rojas-Lima; Verónica Salazar; Kurt Mereiter; Caridad Ruiz Coupling of Internal Alkynes in TpMe2Ir Derivatives: Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes Journal of the American Chemical Society 125 (2003) 1478-1479
Space group: P -1
Cell volume: 1747.4
Cell parameters: 11.6037; 12.1858; 12.959; 74.638; 86.425; 81.588;  

COD ID: 4113456
CIF file Formula: - C36 H35 I N O P Pd -
Comments: Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles Journal of the American Chemical Society 125 (2003) 1587-1594
Space group: C 1 c 1
Cell volume: 3244
Cell parameters: 9.619; 36.11; 10.078; 90; 112.07; 90;  

COD ID: 4113457
CIF file Formula: - C38 H37 Cl2 I N O P Pd -
Comments: Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles Journal of the American Chemical Society 125 (2003) 1587-1594
Space group: P 1 21/c 1
Cell volume: 3567.9
Cell parameters: 9.719; 20.633; 17.793; 90; 90.54; 90;  

COD ID: 4113458
CIF file Formula: - C73.5 H59.25 Al2 Cl0.25 F48 Ga Li O8 -
Comments: Rudolf J. Wehmschulte; Jared M. Steele; Jackie D. Young; Masood A. Khan [2,6-Mes2C6H3]2Ga+Li[Al{OCH(CF3)2}4]2- (Mes = 2,4,6-Me3C6H2): A Compound Containing a Linear Unsolvated Two-Coordinate Gallium Cation Journal of the American Chemical Society 125 (2003) 1470-1471
Space group: P -1
Cell volume: 4437.3
Cell parameters: 16.4399; 18.299; 18.6637; 61.183; 64.621; 75.41;  

COD ID: 4113459
CIF file Formula: - C24 H35 N Zr -
Comments: Sebastien Pillet; Guang Wu; Vichien Kulsomphob; Benjamin G. Harvey; Richard D. Ernst; Philip Coppens Investigation of Zr-C, Zr-N, and Potential Agostic Interactions in an Organozirconium Complex by Experimental Electron Density Analysis Journal of the American Chemical Society 125 (2003) 1937-1949
Space group: P 1 21/n 1
Cell volume: 2168.78
Cell parameters: 8.5981; 9.3991; 27.067; 90; 97.482; 90;  

COD ID: 4113460
CIF file Formula: - C8 H19 Br2 N3 O Zn -
Comments: Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex Journal of the American Chemical Society 125 (2003) 1988-1993
Space group: P 21 21 21
Cell volume: 1250.45
Cell parameters: 7.3895; 8.0891; 20.9195; 90; 90; 90;  

COD ID: 4113461
CIF file Formula: - C15 H37 Cl3 N6 O11 Zn2 -
Comments: Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex Journal of the American Chemical Society 125 (2003) 1988-1993
Space group: P 1 21/n 1
Cell volume: 2604.22
Cell parameters: 11.7153; 10.3734; 21.5665; 90; 96.472; 90;  

COD ID: 4113462
CIF file Formula: - C26 H28 Cl N4 O6.5 Zn -
Comments: Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family Journal of the American Chemical Society 125 (2003) 1778-1787
Space group: P -1
Cell volume: 2634.1
Cell parameters: 11.057; 13.594; 17.698; 86.55; 88.912; 82.784;  

COD ID: 4113463
CIF file Formula: - C27 H32 Cl Mn N4 O7.5 -
Comments: Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family Journal of the American Chemical Society 125 (2003) 1778-1787
Space group: P -1
Cell volume: 1380.8
Cell parameters: 10.09; 11.7; 13.043; 64.363; 89.406; 84.44;  

COD ID: 4113464
CIF file Formula: - C26 H27 Cl Cu N4 O6 -
Comments: Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family Journal of the American Chemical Society 125 (2003) 1778-1787
Space group: P -1
Cell volume: 1234.5
Cell parameters: 9.097; 11.636; 13.037; 73.86; 73.97; 72.24;  

COD ID: 4113465
CIF file Formula: - C12 H37 F7 Ga9 N4 O40.5 P9 Rb2 -
Comments: Lionel Beitone; Jérôme Marrot; Thierry Loiseau; Gérard Férey; Marc Henry; Clarisse Huguenard; Axel Gansmuller; Francis Taulelle MIL-50, an Open-Framework GaPO with a Periodic Pattern of Small Water Ponds and Dry Rubidium Atoms: a Combined XRD, NMR, and Computational Study Journal of the American Chemical Society 125 (2003) 1912-1922
Space group: C m c 21
Cell volume: 5656.73
Cell parameters: 32.151; 17.229; 10.212; 90; 90; 90;  

COD ID: 4113466
CIF file Formula: - C60 H74 N6 -
Comments: Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium Journal of the American Chemical Society 125 (2003) 1694-1695
Space group: P 1 21/c 1
Cell volume: 5149.4
Cell parameters: 24.9918; 6.3325; 32.709; 90; 95.868; 90;  

COD ID: 4113467
CIF file Formula: - C63 H81 Ga N -
Comments: Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium Journal of the American Chemical Society 125 (2003) 1694-1695
Space group: P 1 21/n 1
Cell volume: 5359
Cell parameters: 11.7036; 24.8171; 18.4566; 90; 91.438; 90;  

COD ID: 4113468
CIF file Formula: - C63.5 H78 In N -
Comments: Robert J. Wright; Andrew D. Phillips; Thomas L. Allen; William H. Fink; Philip P. Power Synthesis and Characterization of the Monomeric Imides Ar'MNAr'' (M = Ga or In; Ar' or Ar'' = Terphenyl Ligands) with Two-Coordinate Gallium and Indium Journal of the American Chemical Society 125 (2003) 1694-1695
Space group: P 1 21/n 1
Cell volume: 5354.4
Cell parameters: 11.7845; 24.639; 18.441; 90; 90.402; 90;  

COD ID: 4113469
CIF file Formula: - C24 H24 B N8 O Re -
Comments: Scott H. Meiere; Joseph M. Keane; T. Brent Gunnoe; Michal Sabat; W. Dean Harman Binding and Activation of Aromatic Molecules by a Molybdenum π-Base Journal of the American Chemical Society 125 (2003) 2024-2025
Space group: P 1 21/n 1
Cell volume: 2313.48
Cell parameters: 12.5962; 12.9219; 15.0517; 90; 109.212; 90;  

COD ID: 4113470
CIF file Formula: - C23 H24 B Mo N9 O -
Comments: Scott H. Meiere; Joseph M. Keane; T. Brent Gunnoe; Michal Sabat; W. Dean Harman Binding and Activation of Aromatic Molecules by a Molybdenum π-Base Journal of the American Chemical Society 125 (2003) 2024-2025
Space group: P 1 21/n 1
Cell volume: 2318.4
Cell parameters: 12.5704; 12.9054; 15.1635; 90; 109.529; 90;  

COD ID: 4113471
CIF file Formula: - C36 H22 B F20 N Pb -
Comments: Thomas Müller; Christian Bauch; Markus Ostermeier; Michael Bolte; Norbert Auner Norbornyl Cations of Group 14 Elements Journal of the American Chemical Society 125 (2003) 2158-2168
Space group: P b c a
Cell volume: 7539.3
Cell parameters: 17.1043; 19.7079; 22.3659; 90; 90; 90;  

COD ID: 4113472
CIF file Formula: - C24 H50 Cl6 N6 O2 P2 Sn -
Comments: Scott E. Denmark; Jiping Fu Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes Journal of the American Chemical Society 125 (2003) 2208-2216
Space group: P 1 21 1
Cell volume: 3695
Cell parameters: 13.5318; 19.2882; 15.2523; 90; 111.847; 90;  

COD ID: 4113473
CIF file Formula: - C23 H46 Cl4 N6 O3 P2 Sn -
Comments: Scott E. Denmark; Jiping Fu Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes Journal of the American Chemical Society 125 (2003) 2208-2216
Space group: C 2 2 21
Cell volume: 3332.4
Cell parameters: 14.898; 18.01; 12.42; 90; 90; 90;  

COD ID: 4113474
CIF file Formula: - C26 H46 Cl16 N6 O2 P2 Sn -
Comments: Scott E. Denmark; Jiping Fu Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes Journal of the American Chemical Society 125 (2003) 2208-2216
Space group: P 31
Cell volume: 3680.3
Cell parameters: 10.332; 10.332; 39.809; 90; 90; 120;  

COD ID: 4113475
CIF file Formula: - C21 H19 F6 N O3 -
Comments: Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation Journal of the American Chemical Society 125 (2003) 2129-2135
Space group: P 21 21 21
Cell volume: 2120.9
Cell parameters: 12.644; 17.879; 9.382; 90; 90; 90;  

COD ID: 4113476
CIF file Formula: - C27 H22 F7 N O2 -
Comments: Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation Journal of the American Chemical Society 125 (2003) 2129-2135
Space group: P -1
Cell volume: 1209.3
Cell parameters: 9.098; 9.876; 14.495; 102.806; 98.216; 103.386;  

COD ID: 4113477
CIF file Formula: - C27 H22 F7 N O2 -
Comments: Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation Journal of the American Chemical Society 125 (2003) 2129-2135
Space group: P 1 21 1
Cell volume: 1224.1
Cell parameters: 11.547; 7.422; 14.5184; 90; 100.326; 90;  

COD ID: 4113478
CIF file Formula: - C57 H54 Cl2 F12 Fe2 N8 O12 S4 -
Comments: Michael P. Jensen; Steven J. Lange; Mark P. Mehn; Emily L. Que; Lawrence Que Biomimetic Aryl Hydroxylation Derived from Alkyl Hydroperoxide at a Nonheme Iron Center. Evidence for an FeIVO Oxidant Journal of the American Chemical Society 125 (2003) 2113-2128
Space group: P -1
Cell volume: 1645
Cell parameters: 9.046; 10.855; 16.774; 88.952; 88.918; 87.495;  

COD ID: 4113479
CIF file Formula: - C27 H24 F6 Fe N4 O7 S2 -
Comments: Michael P. Jensen; Steven J. Lange; Mark P. Mehn; Emily L. Que; Lawrence Que Biomimetic Aryl Hydroxylation Derived from Alkyl Hydroperoxide at a Nonheme Iron Center. Evidence for an FeIVO Oxidant Journal of the American Chemical Society 125 (2003) 2113-2128
Space group: P 1 21/c 1
Cell volume: 3001.9
Cell parameters: 12.013; 9.933; 25.193; 90; 93.057; 90;  

COD ID: 4113480
CIF file Formula: - C12 Au Cl10 Tl -
Comments: Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Javier Pérez; Antonio Laguna; Ahmed A. Mohamed; John P. Fackler {Tl[Au(C6Cl5)2]}n: A Vapochromic Complex Journal of the American Chemical Society 125 (2003) 2022-2023
Space group: P c c n
Cell volume: 1841.31
Cell parameters: 14.7106; 10.4709; 11.954; 90; 90; 90;  

COD ID: 4113481
CIF file Formula: - C17 H16 O4 -
Comments: Naoya Kumagai; Shigeki Matsunaga; Tomofumi Kinoshita; Shinji Harada; Shigemitsu Okada; Shigeru Sakamoto; Kentaro Yamaguchi; Masakatsu Shibasaki Direct Catalytic Asymmetric Aldol Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex Journal of the American Chemical Society 125 (2003) 2169-2178
Space group: P 1
Cell volume: 1522.9
Cell parameters: 16.047; 19.51; 4.8643; 90.07; 90.132; 90.096;  

COD ID: 4113482
CIF file Formula: - C27 H29 B Cl2 F4 O2 Ru S -
Comments: Paul A. Vecchi; Arkady Ellern; Robert J. Angelici Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization Journal of the American Chemical Society 125 (2003) 2064-2065
Space group: P 1 21/c 1
Cell volume: 2866.7
Cell parameters: 15.467; 11.661; 17.591; 90; 115.373; 90;  

COD ID: 4113483
CIF file Formula: - C25 H25 B F4 O2 Ru S -
Comments: Paul A. Vecchi; Arkady Ellern; Robert J. Angelici Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization Journal of the American Chemical Society 125 (2003) 2064-2065
Space group: P 1 21/c 1
Cell volume: 4838.8
Cell parameters: 28.147; 10.726; 16.723; 90; 106.583; 90;  

COD ID: 4113484
CIF file Formula: - C24 H23 B F4 O2 Ru S -
Comments: Paul A. Vecchi; Arkady Ellern; Robert J. Angelici Synthetic, Structural and Binding Studies of the 4,6-Dimethyldibenzothiophene Complex [(η5-C5Me5)Ru(CO)2(η1(S)-4,6-Me2DBT)]BF4: Toward an Understanding of Deep Hydrodesulfurization Journal of the American Chemical Society 125 (2003) 2064-2065
Space group: P 1 21/n 1
Cell volume: 2333.6
Cell parameters: 10.8541; 11.6452; 19.156; 90; 105.468; 90;  

COD ID: 4113485
CIF file Formula: - C70 H85 N8 O12.5 -
Comments: Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong Mechanically Linked Polycarbonate Journal of the American Chemical Society 125 (2003) 2200-2207
Space group: C 1 2/c 1
Cell volume: 14018
Cell parameters: 27.154; 12.48; 41.59; 90; 95.94; 90;  

COD ID: 4113486
CIF file Formula: - C70.5 H90 N8 O14.5 -
Comments: Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong Mechanically Linked Polycarbonate Journal of the American Chemical Society 125 (2003) 2200-2207
Space group: P -1
Cell volume: 3449.69
Cell parameters: 12.7081; 16.9611; 17.2671; 84.876; 68.53; 87.936;  

COD ID: 4113487
CIF file Formula: - C35 H42 N4 O6 -
Comments: Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong Mechanically Linked Polycarbonate Journal of the American Chemical Society 125 (2003) 2200-2207
Space group: P 1 21/n 1
Cell volume: 3303
Cell parameters: 11.37; 12.39; 23.492; 90; 93.7; 90;  

COD ID: 4113488
CIF file Formula: - C73 H97 N8 O13.5 -
Comments: Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong Mechanically Linked Polycarbonate Journal of the American Chemical Society 125 (2003) 2200-2207
Space group: P 1 21/n 1
Cell volume: 6936.5
Cell parameters: 16.3629; 25.1227; 16.8767; 90; 91.036; 90;  

COD ID: 4113489
CIF file Formula: - C78 H100 N8 O11 -
Comments: Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong Mechanically Linked Polycarbonate Journal of the American Chemical Society 125 (2003) 2200-2207
Space group: P -1
Cell volume: 8053.3
Cell parameters: 16.0178; 23.195; 23.2949; 71.331; 83.937; 79.565;  

COD ID: 4113490
CIF file Formula: - C22 H31 Fe O6 P3 S -
Comments: Tsutomu Mizuta; Yuki Imamura; Katsuhiko Miyoshi Ring-Opening Reaction of Phosphorus-Bridged [1]Ferrocenophane via Ring Slippage from η5- to η1-Cp Journal of the American Chemical Society 125 (2003) 2068-2069
Space group: F d d 2
Cell volume: 10454.3
Cell parameters: 14.69; 60.505; 11.762; 90; 90; 90;  

COD ID: 4113491
CIF file Formula: - C24 H42 Mo S2 Si4 -
Comments: Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2} Journal of the American Chemical Society 125 (2003) 2070-2071
Space group: P 1 21/n 1
Cell volume: 2953
Cell parameters: 11.96; 19.135; 13.097; 90; 99.847; 90;  

COD ID: 4113492
CIF file Formula: - C32 H54 Mo N4 S2 Si4 -
Comments: Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2} Journal of the American Chemical Society 125 (2003) 2070-2071
Space group: P 1 21 1
Cell volume: 2109
Cell parameters: 11.496; 15.287; 13.237; 90; 114.96; 90;  

COD ID: 4113493
CIF file Formula: - C45 H51 Mo S3 Si3 -
Comments: Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi Unusual Coordination Modes of Arylthiolates in Mo{η5-SC6H3-2,6-(SiMe3)2}{η7-SC6H3-2,6-(SiMe3)2} Journal of the American Chemical Society 125 (2003) 2070-2071
Space group: P 1 21/n 1
Cell volume: 4334
Cell parameters: 12.395; 17.433; 20.061; 90; 90.849; 90;  

COD ID: 4113494
CIF file Formula: - C78 H15 Cl3 S2 -
Comments: Wenyuan Qian; Shih-Ching Chuang; Roberto B. Amador; Thibaut Jarrosson; Michael Sander; Susan Pieniazek; Saeed I. Khan; Yves Rubin Synthesis of Stable Derivatives of C62: The First Nonclassical Fullerene Incorporating a Four-Membered Ring Journal of the American Chemical Society 125 (2003) 2066-2067
Space group: P 21 21 21
Cell volume: 4472.3
Cell parameters: 10.0834; 17.335; 25.586; 90; 90; 90;  

COD ID: 4113495
CIF file Formula: - C52 H44 N8 V2 -
Comments: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo A Highly Reduced V23+ Unit with a Metal-Metal Bond Order of 3.5 Journal of the American Chemical Society 125 (2003) 2026-2027
Space group: P 1 2/n 1
Cell volume: 4394.7
Cell parameters: 17.874; 10.3011; 24.4161; 90; 102.156; 90;  

COD ID: 4113496
CIF file Formula: - C64 H68 K N8 O3 V2 -
Comments: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo A Highly Reduced V23+ Unit with a Metal-Metal Bond Order of 3.5 Journal of the American Chemical Society 125 (2003) 2026-2027
Space group: P n a 21
Cell volume: 5786.9
Cell parameters: 20.2487; 12.4492; 22.9565; 90; 90; 90;  

COD ID: 4113497
CIF file Formula: - C24 H30 N2 O7 -
Comments: Carina E. Cannizzaro; Jon A. Ashley; K. D. Janda; K. N. Houk Experimental Determination of the Absolute Enantioselectivity of an Antibody-Catalyzed Diels-Alder Reaction and Theoretical Explorations of the Origins of Stereoselectivity Journal of the American Chemical Society 125 (2003) 2489-2506
Space group: P 21 21 2
Cell volume: 2277
Cell parameters: 29.38; 7.473; 10.371; 90; 90; 90;  

COD ID: 4113498
CIF file Formula: - C50 H65 N O2 W -
Comments: W. C. Peter Tsang; Kai C. Hultzsch; John B. Alexander; Peter J. Bonitatebus; Richard R. Schrock; Amir H. Hoveyda Alkylidene and Metalacyclic Complexes of Tungsten that Contain a Chiral Biphenoxide Ligand. Synthesis, Asymmetric Ring-Closing Metathesis, and Mechanistic Investigations Journal of the American Chemical Society 125 (2003) 2652-2666
Space group: C 1 2/c 1
Cell volume: 9115.3
Cell parameters: 22.2675; 19.8014; 22.5546; 90; 113.569; 90;  

COD ID: 4113499
CIF file Formula: - C45 H63 N O3 W -
Comments: W. C. Peter Tsang; Kai C. Hultzsch; John B. Alexander; Peter J. Bonitatebus; Richard R. Schrock; Amir H. Hoveyda Alkylidene and Metalacyclic Complexes of Tungsten that Contain a Chiral Biphenoxide Ligand. Synthesis, Asymmetric Ring-Closing Metathesis, and Mechanistic Investigations Journal of the American Chemical Society 125 (2003) 2652-2666
Space group: P -1
Cell volume: 2098.8
Cell parameters: 10.188; 10.8869; 21.512; 75.914; 80.904; 65.334;  

COD ID: 4113500
CIF file Formula: - C37 H67 Cl O P2 Ru -
Comments: Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands Journal of the American Chemical Society 125 (2003) 2546-2558
Space group: P -1
Cell volume: 926.85
Cell parameters: 9.8362; 10.226; 10.8212; 114.171; 108.499; 91.328;  

COD ID: 4113501
CIF file Formula: - C40.5 H59 Cl2 N2 O P Ru -
Comments: Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands Journal of the American Chemical Society 125 (2003) 2546-2558
Space group: P -1
Cell volume: 1915.5
Cell parameters: 10.2758; 13.0394; 14.7233; 92.336; 103.428; 91.814;  

COD ID: 4113502
CIF file Formula: - C49 H56 Cl2 N4 Ru -
Comments: Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands Journal of the American Chemical Society 125 (2003) 2546-2558
Space group: P -1
Cell volume: 4274
Cell parameters: 11.663; 14.676; 25.176; 94.523; 95.698; 90.666;  

COD ID: 4113503
CIF file Formula: - C44 H59 Mo N O2 -
Comments: W. C. Peter Tsang; Jesper A. Jernelius; G. A. Cortez; Gabriel S. Weatherhead; Richard R. Schrock; Amir H. Hoveyda An Enantiomerically Pure Adamantylimido Molybdenum Alkylidene Complex. An Effective New Catalyst for Enantioselective Olefin Metathesis Journal of the American Chemical Society 125 (2003) 2591-2596
Space group: P 21 21 21
Cell volume: 3905.3
Cell parameters: 10.9897; 16.5354; 21.4911; 90; 90; 90;  

COD ID: 4113504
CIF file Formula: - C51 H45 Cl2 F6 P3 Ru -
Comments: Patricia Álvarez; Elena Lastra; José Gimeno; Mauro Bassetti; Larry R. Falvello Formation of a Cyclobutylidene Ring: Intramolecular [2 + 2] Cycloaddition of Allyl and Vinylidene CC Bonds under Mild Conditions Journal of the American Chemical Society 125 (2003) 2386-2387
Space group: P 1 21/n 1
Cell volume: 4499
Cell parameters: 11.073; 25.216; 16.324; 90; 99.21; 90;  

COD ID: 4113505
CIF file Formula: - C18 H30 Cl2 Co N12 O8 -
Comments: Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes Journal of the American Chemical Society 125 (2003) 2629-2640
Space group: C 1 c 1
Cell volume: 2751.6
Cell parameters: 13.316; 13.5443; 16.085; 90; 108.467; 90;  

COD ID: 4113506
CIF file Formula: - C18.67 H31 Cl3 Co N12.33 O12 -
Comments: Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes Journal of the American Chemical Society 125 (2003) 2629-2640
Space group: P -1
Cell volume: 4608.3
Cell parameters: 12.9233; 19.8358; 21.2816; 113.596; 97.8952; 106.096;  

COD ID: 4113507
CIF file Formula: - C28 H31 Cl3 Co N O3 P2 -
Comments: Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene Journal of the American Chemical Society 125 (2003) 2404-2405
Space group: P 1 21/n 1
Cell volume: 3110.5
Cell parameters: 11.8269; 19.9881; 14.2144; 90; 112.229; 90;  

COD ID: 4113508
CIF file Formula: - C27 H29 Al Cl4 Co N O3 P2 -
Comments: Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene Journal of the American Chemical Society 125 (2003) 2404-2405
Space group: P 21 21 21
Cell volume: 3282.1
Cell parameters: 12.526; 12.8291; 20.4241; 90; 90; 90;  

COD ID: 4113509
CIF file Formula: - C41.5 H40 Al Cl5 Co N O3 P2 -
Comments: Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene Journal of the American Chemical Society 125 (2003) 2404-2405
Space group: P -1
Cell volume: 2383.22
Cell parameters: 12.3668; 13.0461; 15.9147; 88.193; 75.292; 73.836;  

COD ID: 4113510
CIF file Formula: - C54 H49 B F15 Ga -
Comments: Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding Journal of the American Chemical Society 125 (2003) 2667-2679
Space group: P 1 21/n 1
Cell volume: 4813.9
Cell parameters: 12.446; 18.815; 20.58; 90; 92.692; 90;  

COD ID: 4113511
CIF file Formula: - C213 H200 Ga22 -
Comments: Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding Journal of the American Chemical Society 125 (2003) 2667-2679
Space group: P 21 21 2
Cell volume: 9651.5
Cell parameters: 18.4464; 20.6011; 25.3976; 90; 90; 90;  

COD ID: 4113512
CIF file Formula: - C56 H53 B F15 Ga -
Comments: Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding Journal of the American Chemical Society 125 (2003) 2667-2679
Space group: P -1
Cell volume: 2527.5
Cell parameters: 11.9331; 12.5786; 17.8282; 90.9; 97.647; 107.331;  

COD ID: 4113513
CIF file Formula: - C42 H63 Li O -
Comments: Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding Journal of the American Chemical Society 125 (2003) 2667-2679
Space group: P 1 21/n 1
Cell volume: 3804
Cell parameters: 9.2139; 16.7871; 24.6129; 90; 92.268; 90;  

COD ID: 4113514
CIF file Formula: - C40 H49 Fe Ga N2 O4 -
Comments: Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding Journal of the American Chemical Society 125 (2003) 2667-2679
Space group: P n m a
Cell volume: 3851
Cell parameters: 22.0914; 16.5373; 10.541; 90; 90; 90;  

COD ID: 4113515
CIF file Formula: - C84 H118 Ga2 -
Comments: Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding Journal of the American Chemical Society 125 (2003) 2667-2679
Space group: P 1 21/n 1
Cell volume: 3722.5
Cell parameters: 9.047; 26.8579; 15.3625; 90; 94.269; 90;  


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