Crystallography Open Database

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Searching volume of publication is 123

COD ID: 1008867
CIF file Formula: - Cr2 P -
Comments: Artigas, M; Bacmann, M; Fruchart, D; Fruchart, R La structure cristalline de Cr2 P: Distorsion orthorhombique de la structure hexagonale de type Fe2 P Journal of Solid State Chemistry 123 (1996) 306-312
Space group: I m m 2
Cell volume: 435.7
Cell parameters: 6.6097; 10.4023; 6.3371; 90; 90; 90;  

COD ID: 1010278
CIF file Formula: - La2 O3 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxyden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 81.9
Cell parameters: 3.93; 3.93; 6.12; 90; 90; 120;  

COD ID: 1010279
CIF file Formula: - Ce2 O3 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 79
Cell parameters: 3.88; 3.88; 6.06; 90; 90; 120;  

COD ID: 1010280
CIF file Formula: - O3 Pr2 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 77
Cell parameters: 3.85; 3.85; 6; 90; 90; 120;  

COD ID: 1010281
CIF file Formula: - Nd2 O3 -
Comments: Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 134-150
Space group: P 3 2 1
Cell volume: 76.7
Cell parameters: 3.84; 3.84; 6.01; 90; 90; 120;  

COD ID: 1010284
CIF file Formula: - F2 H Na -
Comments: Andersen, C C; Hassel, O Die Struktur des kristallisierten Natriumhydrofluorids und die Gestalt des Ions H F~2~^-^ Zeitschrift fuer Physikalische Chemie (Leipzig) 123 (1926) 151-159
Space group: R -3 :R
Cell volume: 48
Cell parameters: 5.05; 5.05; 5.05; 40.03; 40.03; 40.03;  

COD ID: 1100312
CIF file Formula: - C56 H64 Li2 N2 O2 -
Comments: Ahlbrecht, Hubertus; Boche, Gernot; Harms, Klaus; Marsch, Michael; Sommer, Horst Chirale Homoenolat-Äquivalente, IV. Kristallstruktur einer chiralen 1-Aminoallyllithium-Verbindung: dimeres, intramolekular chelatisiertes (3S)-3-Lithio-1-[(S)-2-(methoxymethyl)pyrrolidino]-1,3-diphenylpropen Chemische Berichte 123(9) (1990) 1853-1858
Space group: P 21 21 21
Cell volume: 4836.71
Cell parameters: 15.141; 15.338; 20.827; 90; 90; 90;  

COD ID: 1100313
CIF file Formula: - C26 H29 N O -
Comments: Priepke, Henning; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter ‒ Diastereocontrol by Allylic Nitrogen Chemische Berichte 123(3) (1990) 555-563
Space group: P -1
Cell volume: 1064.78
Cell parameters: 9.425; 9.49; 12.386; 94.741; 97.68; 102.49;  

COD ID: 1100314
CIF file Formula: - C20 H28 N2 O4 -
Comments: Priepke, Henning; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter ‒ Diastereocontrol by Allylic Nitrogen Chemische Berichte 123(3) (1990) 555-563
Space group: P 21 21 21
Cell volume: 2004.72
Cell parameters: 9.939; 8.52; 23.674; 90; 90; 90;  

COD ID: 1100316
CIF file Formula: - C15 H26 O3 Si -
Comments: Scheuplein, Stefan W.; Kusche, Andreas; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the [2,3] Witting Rearrangement by Chiral Substituents in the Allyl Moiety: 1,3-Asymmetric Induction Chemische Berichte 123(4) (1990) 917-925
Space group: P 1 21 1
Cell volume: 904.39
Cell parameters: 7.963; 10.014; 12.011; 90; 109.22; 90;  

COD ID: 1509425
CIF file Formula: - Ag K2 S4 Sb -
Comments: Schimek, G.L.; Wood, P.T.; Pennington, W.T.; Kolis, J.W. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb) Journal of Solid State Chemistry 123 (1996) 277-284
Space group: P n n 2
Cell volume: 865.174
Cell parameters: 10.348; 10.522; 7.946; 90; 90; 90;  

COD ID: 1509518
CIF file Formula: - Ag Rb2 S4 Sb -
Comments: Kolis, J.W.; Schimek, G.L.; Pennington, W.T.; Wood, P.T. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb) Journal of Solid State Chemistry 123 (1996) 277-284
Space group: P 1 21/n 1
Cell volume: 923.997
Cell parameters: 8.229; 10.857; 10.346; 90; 91.55; 90;  

COD ID: 1509659
CIF file Formula: - Ag2 K S4 Sb -
Comments: Pennington, W.T.; Schimek, G.L.; Wood, P.T.; Kolis, J.W. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb) Journal of Solid State Chemistry 123 (1996) 277-284
Space group: I -4 2 m
Cell volume: 400.105
Cell parameters: 6.886; 6.886; 8.438; 90; 90; 90;  

COD ID: 1509707
CIF file Formula: - Ag2 Rb S4 Sb -
Comments: Schimek, G.L.; Kolis, J.W.; Wood, P.T.; Pennington, W.T. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb) Journal of Solid State Chemistry 123 (1996) 277-284
Space group: P 32 2 1
Cell volume: 635.732
Cell parameters: 6.63; 6.63; 16.7; 90; 90; 120;  

COD ID: 1510867
CIF file Formula: - B28 Fe28 Gd8 -
Comments: Givord, D.; Tenaud, P. Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd) Journal of the Less-Common Metals 123 (1986) 109-116
Space group: P c c n
Cell volume: 1358.75
Cell parameters: 7.051; 7.051; 27.32999; 90; 90; 90;  

COD ID: 1510967
CIF file Formula: - B36 Fe36 Nd10 -
Comments: Givord, D.; Tenaud, P. Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd) Journal of the Less-Common Metals 123 (1986) 109-116
Space group: P c c n
Cell volume: 1776.35
Cell parameters: 7.117; 7.117; 35.06999; 90; 90; 90;  

COD ID: 1511383
CIF file Formula: - B113.76 Fe113.76 Gd28.44 -
Comments: Moreau, J.M.; Tenaud, P.; Givord, D. Refinement of the crystal structure of R1 + epsilonFe4 B4 compounds (R = Nd, Gd) Journal of the Less-Common Metals 123 (1986) 109-116
Space group: P 42/n c m :1
Cell volume: 1358.76
Cell parameters: 7.051; 7.051; 27.33; 90; 90; 90;  

COD ID: 1511410
CIF file Formula: - B145.76 Fe145.76 Nd36.44 -
Comments: Tenaud, P.; Givord, D.; Moreau, J.M. Refinement of the crystal structure of R1 + epsilonFe4 B4 compounds (R = Nd, Gd) Journal of the Less-Common Metals 123 (1986) 109-116
Space group: P 42/n c m :1
Cell volume: 1776.35
Cell parameters: 7.117; 7.117; 35.07; 90; 90; 90;  

COD ID: 1513997
CIF file Formula: - Li Mn2 O4 -
Comments: Berg, H.; Thomas, J. O. Neutron diffraction study of electrochemically delithiated Li Mn2 O4 spinel Solid State Ionics 123 (1999) 227-234
Space group: F d -3 m :2
Cell volume: 555.64
Cell parameters: 8.2211; 8.2211; 8.2211; 90; 90; 90;  

COD ID: 1513999
CIF file Formula: - Li0.74 Mn2 O4 -
Comments: Berg, H.; Thomas, J. O. Neutron diffraction study of electrochemically delithiated Li Mn2 O4 spinel Solid State Ionics 123 (1999) 227-234
Space group: F d -3 m :2
Cell volume: 540.1
Cell parameters: 8.144; 8.144; 8.144; 90; 90; 90;  

COD ID: 1514001
CIF file Formula: - Li0.28 Mn2 O4 -
Comments: Berg, H.; Thomas, J. O. Neutron diffraction study of electrochemically delithiated Li Mn2 O4 spinel Solid State Ionics 123 (1999) 227-234
Space group: F d -3 m :2
Cell volume: 520.3
Cell parameters: 8.043; 8.043; 8.043; 90; 90; 90;  

COD ID: 1520928
CIF file Formula: - Li O12 P3 Zr2 -
Comments: Catti, M.; Stramare, S.; Ibberson, R. Lithium location in NASICON-type Li(+) conductors by neutron diffraction. I. Triclinic alpha'-Li Zr2 (P O4)3 Solid State Ionics 123 (1999) 173-180
Space group: C -1
Cell volume: 1010.53
Cell parameters: 15.0718; 8.8556; 9.1234; 89.661; 123.912; 90.429;  

COD ID: 1521869
CIF file Formula: - La O3 Y -
Comments: Ruiz-Trejo, E.; Islam, M.S.; Kilner, J.A. Atomistic simulation of defects and ion migration in La Y O3 Solid State Ionics 123 (1999) 121-129
Space group: P n a 21
Cell volume: 305.791
Cell parameters: 6.052; 5.936; 8.512; 90; 90; 90;  

COD ID: 1522432
CIF file Formula: - Gd Mg2 -
Comments: Manfrinetti, P.; Gschneidner, K.A.jr. Phase equilibrium in the La-Mg (0-65 at.% Mg) and Gd-Mg systems Journal of the Less-Common Metals 123 (1986) 267-275
Space group: F d -3 m :1
Cell volume: 630.525
Cell parameters: 8.575; 8.575; 8.575; 90; 90; 90;  

COD ID: 1522588
CIF file Formula: - P Pr0.68 U0.32 -
Comments: Niedzielski, R.; Troc, R.; Schubert, K. Magnetic susceptibility of Pr P, Pr S, Nd P, Nd S, and U1-x Pr(Nd)x P in the paramagnetic region Physica Status Solidi, Sectio B: Basic Research 123 (1984) 29-34
Space group: F m -3 m
Cell volume: 194.91
Cell parameters: 5.798; 5.798; 5.798; 90; 90; 90;  

COD ID: 1523522
CIF file Formula: - Mn Ni -
Comments: Egorushkin, V.E.; Kulkova, S.E.; Kulkov, S.N. Electronic structure and the theory of phase transformation in Ni Mn Physica B and C (Netherland) (79,1975-) 123 (1983) 61-68
Space group: P 4/m m m
Cell volume: 23.774
Cell parameters: 2.61; 2.61; 3.49; 90; 90; 90;  

COD ID: 1523523
CIF file Formula: - Mn Ni -
Comments: Egorushkin, V.E.; Kulkov, S.N.; Kulkova, S.E. Electronic structure and the theory of phase transformation in Ni Mn Physica B and C (Netherland) (79,1975-) 123 (1983) 61-68
Space group: P m -3 m
Cell volume: 26.464
Cell parameters: 2.98; 2.98; 2.98; 90; 90; 90;  

COD ID: 1523524
CIF file Formula: - La Ru Sn3 -
Comments: Eisenmann, B.; Schaefer, H. Kaefigstrukturen in intermetallischen Verbindungen: zur Kenntnis von La Ru Sn3, Ce Ru Sn3, P Ru Sn3 und Nd Ru Sn3 Journal of the Less-Common Metals 123 (1986) 89-94
Space group: P m -3 n
Cell volume: 933.434
Cell parameters: 9.773; 9.773; 9.773; 90; 90; 90;  

COD ID: 1523897
CIF file Formula: - Al0.5 Co Ga0.5 -
Comments: Ipser, H.; Mikula, A. On the ternary B2-phase in the Al-Co-Ga system Monatshefte fuer Chemie (-108,1977) 123 (1992) 509-513
Space group: P m -3 m
Cell volume: 23.739
Cell parameters: 2.874; 2.874; 2.874; 90; 90; 90;  

COD ID: 1528121
CIF file Formula: - Co0.63 Te -
Comments: Terzieff, P.; Ipser, H. A contribution to the ternary phase diagram Co-Sb-Te Monatshefte fuer Chemie (-108,1977) 123 (1992) 35-42
Space group: P 63/m m c
Cell volume: 68.954
Cell parameters: 3.847; 3.847; 5.38; 90; 90; 120;  

COD ID: 1530043
CIF file Formula: - Cl Eu2 P -
Comments: Hadenfeldt, C.; Held, W. Darstellung, Eigenschaften und Kristallstrukur der Europium (II)-Phosphidhalogenide Eu2 P Cl, Eu2 P Br und Eu2 P I Journal of the Less-Common Metals 123 (1986) 25-35
Space group: F m -3 m
Cell volume: 227.651
Cell parameters: 6.106; 6.106; 6.106; 90; 90; 90;  

COD ID: 1530044
CIF file Formula: - Br Eu2 P -
Comments: Hadenfeldt, C.; Held, W. Darstellung, Eigenschaften und Kristallstrukur der Europium (II)-Phosphidhalogenide Eu2 P Cl, Eu2 P Br und Eu2 P I Journal of the Less-Common Metals 123 (1986) 25-35
Space group: R -3 m :H
Cell volume: 364.682
Cell parameters: 4.385; 4.385; 21.9; 90; 90; 120;  

COD ID: 1530045
CIF file Formula: - Eu2 I P -
Comments: Hadenfeldt, C.; Held, W. Darstellung, Eigenschaften und Kristallstrukur der Europium (II)-Phosphidhalogenide Eu2 P Cl, Eu2 P Br und Eu2 P I Journal of the Less-Common Metals 123 (1986) 25-35
Space group: R -3 m :H
Cell volume: 395.708
Cell parameters: 4.445; 4.445; 23.126; 90; 90; 120;  

COD ID: 1538152
CIF file Formula: - Mn Pd Te -
Comments: Helmholdt, R.B.; Buschow, K.H.J. A neutron diffraction and magnetization study of Pd Mn Te Journal of the Less-Common Metals 123 (1986) 169-173
Space group: F m -3 m
Cell volume: 245.373
Cell parameters: 6.2605; 6.2605; 6.2605; 90; 90; 90;  

COD ID: 1538750
CIF file Formula: - Nd P -
Comments: Niedzielski, R.; Troc, R. Magnetic susceptibility of Pr P, Pr S, Nd P, Nd S, and U1-x Pr (Nd)x P in the paramagnetic region Physica Status Solidi, Sectio B: Basic Research 123 (1984) K29-K34
Space group: F m -3 m
Cell volume: 183.444
Cell parameters: 5.682; 5.682; 5.682; 90; 90; 90;  

COD ID: 1540151
CIF file Formula: - Co Ga -
Comments: Ipser, H.; Mikula, A. On the ternary B2 -phase in the Al - Co - Ga system Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 123 (1992) 509-513
Space group: P m -3 m
Cell volume: 23.838
Cell parameters: 2.878; 2.878; 2.878; 90; 90; 90;  

COD ID: 1541039
CIF file Formula: - Co Sb -
Comments: Terzieff, P.; Ipser, H. A contribution to the ternary phase diagram Co - Sb - Te Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 123 (1992) 35-42
Space group: P 63/m m c
Cell volume: 68.127
Cell parameters: 3.9; 3.9; 5.172; 90; 90; 120;  

COD ID: 1544379
CIF file Formula: - Fe O4 V -
Comments: Oka, Y.; Yao, T.; Yamamoto, N.; Ueda, Y.; Kawasaki, S.; Azuma, M.; Takano, M. Hydrothermal synthesis, crystal structure, and magnetic properties of FeVO4-II Journal of Solid State Chemistry 123 (1996) 54-59
Space group: C m c m
Cell volume: 284.57
Cell parameters: 5.6284; 8.2724; 6.1118; 90; 90; 90;  

COD ID: 1544474
CIF file Formula: - Li2 Mn O3 -
Comments: Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T. Structural variation of Li2MnO3 during charge-discharge cycling Journal of the Ceramic Society of Japan 123 (2015) 589-594
Space group: C 1 2/m 1
Cell volume: 199.7
Cell parameters: 4.9329; 8.5351; 5.026; 90; 109.314; 90;  

COD ID: 1551027
CIF file Formula: - C18 H27.88 F N3 O3.94 -
Comments: Fischer, Joshua L.; Elvir, Brayan R.; DeLucia, Sally-Ann; Blodgett, Karl N.; Zeller, Matthias; Kubasik, Matthew A.; Zwier, Timothy S. Single-Conformation Spectroscopy of Capped Aminoisobutyric Acid Dipeptides: The Effect of C-Terminal Cap Chromophores on Conformation. The journal of physical chemistry. A 123(19) (2019) 4178-4187
Space group: P 21 21 21
Cell volume: 2073.82
Cell parameters: 8.5837; 12.3394; 19.5795; 90; 90; 90;  

COD ID: 1552723
CIF file Formula: - C16 H12 O -
Comments: Philip, Abbey M.; Gudem, Mahesh; Sebastian, Ebin; Hariharan, Mahesh Decoding the Curious Tale of Atypical Intersystem Crossing Dynamics in Regioisomeric Acetylanthracenes. The journal of physical chemistry. A 123(29) (2019) 6105-6112
Space group: P 1 21/n 1
Cell volume: 1170.04
Cell parameters: 8.3193; 16.3409; 9.4115; 90; 113.866; 90;  

COD ID: 1552724
CIF file Formula: - C26 H18 F3 I3 N O P -
Comments: Xu, Yijue; Gabidullin, Bulat; Bryce, David L. Single-Crystal NMR Characterization of Halogen Bonds. The journal of physical chemistry. A 123(29) (2019) 6194-6209
Space group: P -1
Cell volume: 4229.62
Cell parameters: 13.6994; 18.2829; 20.3552; 115.988; 92.951; 108.684;  

COD ID: 1552725
CIF file Formula: - C4 H4 I2 N2 O -
Comments: Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A 123(32) (2019) 7113-7123
Space group: P -1
Cell volume: 402.71
Cell parameters: 4.5247; 9.3311; 10.6259; 65.332; 81.052; 85.766;  

COD ID: 1552726
CIF file Formula: - C6 H7 I2 N O -
Comments: Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A 123(32) (2019) 7113-7123
Space group: P -1
Cell volume: 474.7
Cell parameters: 8.1349; 8.1507; 8.5804; 105.23; 115.097; 98.513;  

COD ID: 1552727
CIF file Formula: - C13 H8 Cl I2 N O -
Comments: Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A 123(32) (2019) 7113-7123
Space group: P -1
Cell volume: 1372.1
Cell parameters: 10.2279; 12.2184; 12.5067; 112.438; 101.82; 98.066;  

COD ID: 1552728
CIF file Formula: - C6 H7 I2 N O -
Comments: Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A 123(32) (2019) 7113-7123
Space group: P 1 21/n 1
Cell volume: 959.84
Cell parameters: 8.2601; 8.6523; 13.4871; 90; 95.264; 90;  

COD ID: 1552729
CIF file Formula: - C8 H6 I2 N2 O -
Comments: Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A 123(32) (2019) 7113-7123
Space group: P 1 21/n 1
Cell volume: 1032.7
Cell parameters: 4.4017; 19.811; 11.9038; 90; 95.818; 90;  

COD ID: 1552730
CIF file Formula: - C7 H10 I2 N2 O -
Comments: Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A 123(32) (2019) 7113-7123
Space group: P -1
Cell volume: 549.28
Cell parameters: 8.2802; 8.425; 9.0335; 87.808; 71.668; 67.28;  

COD ID: 1552731
CIF file Formula: - C30 H44 Cl2 N4 Pt -
Comments: Bullock, James D.; Valandro, Silvano R.; Sulicz, Amanda N.; Zeman, 4th, Charles J; Abboud, Khalil A.; Schanze, Kirk S. Blue Phosphorescent <i>trans</i>-N-Heterocyclic Carbene Platinum Acetylides: Dependence on Energy Gap and Conformation. The journal of physical chemistry. A 123(42) (2019) 9069-9078
Space group: P 1 21/c 1
Cell volume: 1498.9
Cell parameters: 13.9644; 8.6246; 14.0947; 90; 117.997; 90;  

COD ID: 1552732
CIF file Formula: - C8 H6 O4 -
Comments: Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes). The journal of physical chemistry. A 123(40) (2019) 8674-8689
Space group: P 1 21/n 1
Cell volume: 334.92
Cell parameters: 3.7157; 5.5117; 16.3825; 90; 93.399; 90;  

COD ID: 1552733
CIF file Formula: - C8 H6 O4 -
Comments: Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes). The journal of physical chemistry. A 123(40) (2019) 8674-8689
Space group: P -1
Cell volume: 704.14
Cell parameters: 7.4756; 8.2973; 11.9343; 78.758; 76.136; 84.789;  

COD ID: 1552734
CIF file Formula: - C8 H6 O4 -
Comments: Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes). The journal of physical chemistry. A 123(40) (2019) 8674-8689
Space group: P 21 21 21
Cell volume: 1357.46
Cell parameters: 4.7435; 12.9275; 22.1367; 90; 90; 90;  

COD ID: 1552735
CIF file Formula: - C8 H6 O4 -
Comments: Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes). The journal of physical chemistry. A 123(40) (2019) 8674-8689
Space group: P 1 21 1
Cell volume: 351.81
Cell parameters: 3.807; 7.3986; 12.547; 90; 95.445; 90;  

COD ID: 1552736
CIF file Formula: - C12 H8 O4 -
Comments: Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes). The journal of physical chemistry. A 123(40) (2019) 8674-8689
Space group: P 1 21/n 1
Cell volume: 917.6
Cell parameters: 15.5165; 3.7812; 16.046; 90; 102.91; 90;  

COD ID: 1552737
CIF file Formula: - C48 H32.5 Cl O2 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: P -1
Cell volume: 1732.48
Cell parameters: 11.4722; 11.9239; 12.9872; 82.0691; 84.5147; 80.9008;  

COD ID: 1552738
CIF file Formula: - C40 H36 Si2 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: P 1 21/c 1
Cell volume: 3236.29
Cell parameters: 16.4701; 10.2654; 19.1679; 90; 93.01; 90;  

COD ID: 1552739
CIF file Formula: - C36 H32 S2 Si2 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: P b c m
Cell volume: 3107.2
Cell parameters: 5.936; 17.1042; 30.6034; 90; 90; 90;  

COD ID: 1552740
CIF file Formula: - C46 H28 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: P 1 21/c 1
Cell volume: 3018.96
Cell parameters: 5.706; 24.2192; 21.9739; 90; 96.192; 90;  

COD ID: 1552741
CIF file Formula: - C40 H36 O2 Si2 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: P 1 21/c 1
Cell volume: 3283.09
Cell parameters: 12.3334; 18.6789; 15.4407; 90; 112.638; 90;  

COD ID: 1552742
CIF file Formula: - C50 H28 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: I 1 2/a 1
Cell volume: 3328.99
Cell parameters: 18.9506; 5.3187; 33.0475; 90; 91.961; 90;  

COD ID: 1552743
CIF file Formula: - C36 H32 O2 S2 Si2 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: P 1 21/c 1
Cell volume: 3162.87
Cell parameters: 12.1794; 18.7124; 15.1146; 90; 113.338; 90;  

COD ID: 1552744
CIF file Formula: - C47 H37 B O -
Comments: Santos, Willy G.; Budkina, Darya S.; Santagneli, Silvia H.; Tarnovsky, Alexander N.; Zukerman-Schpector, Julio; Ribeiro, Sidney J. L. Ion-Pair Complexes of Pyrylium and Tetraarylborate as New Host-Guest Dyes: Photoinduced Electron Transfer Promoting Radical Polymerization. The journal of physical chemistry. A 123(34) (2019) 7374-7383
Space group: P 1 21/n 1
Cell volume: 3561
Cell parameters: 9.9256; 19.9181; 18.5817; 90; 104.22; 90;  

COD ID: 1552804
CIF file Formula: - C76 H62 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: P 1 21/c 1
Cell volume: 6709.7
Cell parameters: 12.5454; 24.231; 22.154; 90; 94.923; 90;  

COD ID: 1552805
CIF file Formula: - C104 H118 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: P -1
Cell volume: 4591.1
Cell parameters: 13.7746; 16.2985; 21.2476; 75.374; 84.152; 87.724;  

COD ID: 1552806
CIF file Formula: - C80 H70 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: C 1 2/c 1
Cell volume: 6868
Cell parameters: 26.352; 13.764; 24.745; 90; 130.07; 90;  

COD ID: 1552807
CIF file Formula: - C104 H70 Cl4 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: C 1 2/c 1
Cell volume: 8582.3
Cell parameters: 18.5232; 18.343; 25.6005; 90; 99.368; 90;  

COD ID: 1552808
CIF file Formula: - C82 H74 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: P 1 21/c 1
Cell volume: 7070
Cell parameters: 13.076; 23.344; 23.162; 90; 90.104; 90;  

COD ID: 1552809
CIF file Formula: - C77 H58 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: P b c a
Cell volume: 13695.7
Cell parameters: 17.2401; 19.3123; 41.135; 90; 90; 90;  

COD ID: 1552810
CIF file Formula: - C76 H62 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: C 1 2/c 1
Cell volume: 6560
Cell parameters: 22.589; 13.581; 23.268; 90; 113.211; 90;  

COD ID: 1552811
CIF file Formula: - C88 H86 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: P -1
Cell volume: 7629.3
Cell parameters: 13.7795; 22.43; 26.079; 77.793; 81.704; 76.746;  

COD ID: 1552812
CIF file Formula: - C74 H58 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: C 1 2/c 1
Cell volume: 6305
Cell parameters: 14.531; 19.058; 23.065; 90; 99.2; 90;  

COD ID: 1552813
CIF file Formula: - C88 H86 N16 O3 Si4 -
Comments: Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A 123(2) (2019) 471-481
Space group: P 1 21/n 1
Cell volume: 7845.2
Cell parameters: 12.5819; 28.9066; 21.881; 90; 99.664; 90;  

COD ID: 1554127
CIF file Formula: - C23 H21 B2 F8 N5 -
Comments: Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C 123(11) (2019) 6599
Space group: P 61 2 2
Cell volume: 3691.8
Cell parameters: 10.6131; 10.6131; 37.846; 90; 90; 120;  

COD ID: 1554128
CIF file Formula: - C23 H21 B2 F8 N5 -
Comments: Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C 123(11) (2019) 6599
Space group: P 61 2 2
Cell volume: 3731.6
Cell parameters: 10.6229; 10.6229; 38.184; 90; 90; 120;  

COD ID: 1554129
CIF file Formula: - C21 H18 B2 F8 N4 -
Comments: Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C 123(11) (2019) 6599
Space group: P 61 2 2
Cell volume: 3726.4
Cell parameters: 10.6135; 10.6135; 38.198; 90; 90; 120;  

COD ID: 1554130
CIF file Formula: - C21 H18 B2 F8 N4 -
Comments: Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C 123(11) (2019) 6599
Space group: P 61 2 2
Cell volume: 3756.2
Cell parameters: 10.628; 10.628; 38.399; 90; 90; 120;  

COD ID: 1554131
CIF file Formula: - C21 H23 B2 F8 N4 O2.5 -
Comments: Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C 123(11) (2019) 6599
Space group: P 61 2 2
Cell volume: 11031.1
Cell parameters: 18.3447; 18.3447; 37.85; 90; 90; 120;  

COD ID: 1554132
CIF file Formula: - C21 H23 B2 F8 N4 O2.5 -
Comments: Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C 123(11) (2019) 6599
Space group: P 61 2 2
Cell volume: 3742
Cell parameters: 10.6249; 10.6249; 38.276; 90; 90; 120;  

COD ID: 1554133
CIF file Formula: - C26 H18 N4 -
Comments: Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines The Journal of Physical Chemistry C 123(19) (2019) 12088
Space group: P -1
Cell volume: 493.56
Cell parameters: 7.3012; 8.0874; 8.7726; 72.526; 87.384; 89.741;  

COD ID: 1554134
CIF file Formula: - C28 H14 Cl2 N4 -
Comments: Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines The Journal of Physical Chemistry C 123(19) (2019) 12088
Space group: P -1
Cell volume: 537.339
Cell parameters: 7.33915; 8.13493; 9.97271; 67.93; 77.0956; 87.4287;  

COD ID: 1554135
CIF file Formula: - C28 H14 Br2 N4 -
Comments: Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines The Journal of Physical Chemistry C 123(19) (2019) 12088
Space group: P -1
Cell volume: 544.272
Cell parameters: 7.41651; 8.17089; 9.87887; 68.2777; 78.4778; 88.3362;  

COD ID: 1554136
CIF file Formula: - C30 H18 N4 -
Comments: Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines The Journal of Physical Chemistry C 123(19) (2019) 12088
Space group: P -1
Cell volume: 552.6
Cell parameters: 6.896; 9.01; 9.5168; 105.15; 101.29; 95.7;  

COD ID: 1554138
CIF file Formula: - C6 H8 F6 Li N O6 S3 -
Comments: Nakanishi, Azusa; Ueno, Kazuhide; Watanabe, Daiki; Ugata, Yosuke; Matsumae, Yoshiharu; Liu, Jiali; Thomas, Morgan L.; Dokko, Kaoru; Watanabe, Masayoshi Sulfolane-Based Highly Concentrated Electrolytes of Lithium Bis(trifluoromethanesulfonyl)amide: Ionic Transport, Li-Ion Coordination, and Li‒S Battery Performance The Journal of Physical Chemistry C 123(23) (2019) 14229
Space group: P 21 21 21
Cell volume: 1551.6
Cell parameters: 8.6999; 12.2951; 14.5055; 90; 90; 90;  

COD ID: 1554139
CIF file Formula: - C4 H16 Br4 N2 Pb -
Comments: Luo, Binbin; Guo, Yan; Li, Xianli; Xiao, Yonghong; Huang, Xiaochun; Zhang, Jin Z. Efficient Trap-Mediated Mn2+ Dopant Emission in Two Dimensional Single-Layered Perovskite (CH3CH2NH3)2PbBr4 The Journal of Physical Chemistry C 123(23) (2019) 14239
Space group: P 1 21/c 1
Cell volume: 748.64
Cell parameters: 11.7549; 8.23736; 8.16994; 90; 108.855; 90;  

COD ID: 1554140
CIF file Formula: - C90 H116 Si4 -
Comments: Matsui, Yasunori; Kawaoka, Shuhei; Nagashima, Hiroki; Nakagawa, Tatsuo; Okamura, Naoki; Ogaki, Takuya; Ohta, Eisuke; Akimoto, Seiji; Sato-Tomita, Ayana; Yagi, Shigeyuki; Kobori, Yasuhiro; Ikeda, Hiroshi Exergonic Intramolecular Singlet Fission of an Adamantane-Linked Tetracene Dyad via Twin Quintet Multiexcitons The Journal of Physical Chemistry C 123(31) (2019) 18813
Space group: C 1 2/c 1
Cell volume: 7978
Cell parameters: 47.416; 10.523; 15.989; 90; 90.102; 90;  

COD ID: 1554141
CIF file Formula: - C8 H9 N3 O3 -
Comments: Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions The Journal of Physical Chemistry C 123(34) (2019) 20928
Space group: P -1
Cell volume: 456.56
Cell parameters: 4.6102; 8.0852; 12.4977; 83.809; 82.68; 82.977;  

COD ID: 1554142
CIF file Formula: - C6 H9 N3 O3 -
Comments: Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions The Journal of Physical Chemistry C 123(34) (2019) 20928
Space group: P 1 21/n 1
Cell volume: 780.7
Cell parameters: 4.6883; 21.471; 7.82; 90; 97.356; 90;  

COD ID: 1554143
CIF file Formula: - C13 H10 N4 O3 -
Comments: Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions The Journal of Physical Chemistry C 123(34) (2019) 20928
Space group: P 1 21/n 1
Cell volume: 1174.1
Cell parameters: 4.6463; 23.585; 10.7437; 90; 94.214; 90;  

COD ID: 1554144
CIF file Formula: - C13 H10 N4 O2 -
Comments: Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions The Journal of Physical Chemistry C 123(34) (2019) 20928
Space group: P 1 21 1
Cell volume: 585.58
Cell parameters: 8.5059; 5.7021; 12.074; 90; 90.569; 90;  

COD ID: 1554145
CIF file Formula: - C28 H24 O8 S4 -
Comments: Takeda, Takashi; Ozawa, Masataka; Akutagawa, Tomoyuki Dynamic Motion of Twisted π System-Induced Temperature-Dependent Dielectric Response in the Neat Liquid State The Journal of Physical Chemistry C 123(33) (2019) 20152
Space group: P c c a
Cell volume: 5704.9
Cell parameters: 28.9409; 9.0789; 21.712; 90; 90; 90;  

COD ID: 1554146
CIF file Formula: - C22 H23 N O2 -
Comments: Wang, Fang; DeRosa, Christopher A.; Song, Daniel; Dickie, Diane A.; Fraser, Cassandra L. Environment-Sensitive Azepane-Substituted β-Diketones and Difluoroboron Complexes with Restricted C‒C Bond Rotation The Journal of Physical Chemistry C 123(37) (2019) 23124
Space group: I 1 2/a 1
Cell volume: 3350
Cell parameters: 14.715; 13.139; 17.882; 90; 104.31; 90;  

COD ID: 2000099
CIF file Formula: - C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -
Comments: Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species Journal of the American Chemical Society 123(33) (2001) 8053-8066
Space group: P -1
Cell volume: 8790.67
Cell parameters: 18.128; 20.224; 26.221; 101.3; 104.07; 102.37;  

COD ID: 4003407
CIF file Formula: - C60 H37 Br N8 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P 1 21/n 1
Cell volume: 4634.1
Cell parameters: 10.8305; 19.5979; 22.3531; 90; 102.385; 90;  

COD ID: 4003408
CIF file Formula: - C68 H56 N6 O3 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P 1 21/n 1
Cell volume: 5344.5
Cell parameters: 13.2748; 23.4797; 17.4296; 90; 100.334; 90;  

COD ID: 4003409
CIF file Formula: - C94 H110 N6 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P -1
Cell volume: 3979.2
Cell parameters: 11.782; 17.9094; 20.0156; 98.415; 100.812; 102.134;  

COD ID: 4003410
CIF file Formula: - C56 H32 N6 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P 1 21/n 1
Cell volume: 3919.4
Cell parameters: 17.1156; 10.1624; 22.57; 90; 93.262; 90;  

COD ID: 4003411
CIF file Formula: - C59 H35 Cl9 N6 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P 21 21 21
Cell volume: 5279.3
Cell parameters: 13.6522; 16.8556; 22.942; 90; 90; 90;  

COD ID: 4003412
CIF file Formula: - C88 H96 N6 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P -1
Cell volume: 1752.48
Cell parameters: 11.2959; 11.6028; 15.7669; 102.481; 96.643; 116.453;  

COD ID: 4003413
CIF file Formula: - C66.5 H53 N6 O3.5 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P 1 21/n 1
Cell volume: 5348.6
Cell parameters: 13.501; 23.489; 17.2129; 90; 101.522; 90;  

COD ID: 4003414
CIF file Formula: - C60.4 H41.2 Cl1.6 N6 O0.8 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P -1
Cell volume: 2338.1
Cell parameters: 13.0766; 13.5258; 15.2752; 80.949; 66.259; 71.062;  

COD ID: 4003415
CIF file Formula: - C60 H37 Br N8 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P 1 21/n 1
Cell volume: 4712.9
Cell parameters: 10.9331; 19.6323; 22.4761; 90; 102.34; 90;  

COD ID: 4003416
CIF file Formula: - C59.6 H37.4 N7.8 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: C 1 2/c 1
Cell volume: 27897.8
Cell parameters: 70.128; 21.4702; 18.5758; 90; 94.086; 90;  

COD ID: 4003417
CIF file Formula: - C56 H32 N6 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P -1
Cell volume: 4012.6
Cell parameters: 8.9077; 19.4451; 23.7968; 78.143; 84.235; 89.989;  

COD ID: 4003418
CIF file Formula: - C100 H120 N6 -
Comments: Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P. Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 123(17) (2019) 11109-11117
Space group: P -1
Cell volume: 4148
Cell parameters: 11.9194; 18.1784; 20.0895; 97.775; 99.395; 101.293;  

COD ID: 4115409
CIF file Formula: - C32 H42 Fe N4 O8 -
Comments: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization Journal of the American Chemical Society 123 (2001) 68-75
Space group: I 41
Cell volume: 3175.6
Cell parameters: 14.573; 14.5731; 14.953; 90; 90; 90;  

COD ID: 4115410
CIF file Formula: - C32 H46 Fe N4 O8 -
Comments: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization Journal of the American Chemical Society 123 (2001) 68-75
Space group: P 1
Cell volume: 861.05
Cell parameters: 9.294; 11.783; 8.924; 98.65; 116.481; 81.41;  

COD ID: 4115411
CIF file Formula: - C38 H42 Fe N4 O8 -
Comments: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization Journal of the American Chemical Society 123 (2001) 68-75
Space group: C 2 2 21
Cell volume: 3781.2
Cell parameters: 10.8188; 21.434; 16.306; 90; 90; 90;  

COD ID: 4115412
CIF file Formula: - C19 H32 K O6 -
Comments: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts Journal of the American Chemical Society 123 (2001) 189-190
Space group: P n a 21
Cell volume: 2135.5
Cell parameters: 19.7525; 9.8664; 10.9577; 90; 90; 90;  

COD ID: 4115413
CIF file Formula: - C36 H60 K2 O12 -
Comments: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts Journal of the American Chemical Society 123 (2001) 189-190
Space group: P n m a
Cell volume: 3904.1
Cell parameters: 26.1009; 16.3832; 9.13; 90; 90; 90;  

COD ID: 4115414
CIF file Formula: - C17 H30 K O7 -
Comments: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts Journal of the American Chemical Society 123 (2001) 189-190
Space group: C 1 2/c 1
Cell volume: 4072
Cell parameters: 26.6844; 8.5157; 22.0803; 90; 125.751; 90;  

COD ID: 4115415
CIF file Formula: - C10 H8 Br2 Fe0.5 S4 Se4 -
Comments: Hideki Fujiwara; Emiko Fujiwara; Yasuhiro Nakazawa; Bakhyt Zh. Narymbetov; Kiyonori Kato; Hayao Kobayashi; Akiko Kobayashi; Madoka Tokumoto; Patrick Cassoux A Novel Antiferromagnetic Organic Superconductor κ-(BETS)2FeBr4 [Where BETS = Bis(ethylenedithio)tetraselenafulvalene] Journal of the American Chemical Society 123 (2001) 306-314
Space group: P n m a
Cell volume: 3669
Cell parameters: 11.787; 36.607; 8.504; 90; 90; 90;  

COD ID: 4115416
CIF file Formula: - C26 H65 Fe5 O14 -
Comments: Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides Journal of the American Chemical Society 123 (2001) 339-340
Space group: P -1
Cell volume: 2029.2
Cell parameters: 11.7472; 12.1672; 15.8347; 99.2118; 101.262; 109.507;  

COD ID: 4115417
CIF file Formula: - C54 H66 Fe2 O6 -
Comments: Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides Journal of the American Chemical Society 123 (2001) 339-340
Space group: P 1 21/c 1
Cell volume: 2413.2
Cell parameters: 12.6689; 19.7686; 9.9959; 90; 105.434; 90;  

COD ID: 4115418
CIF file Formula: - C32 H38 F2 N2 Si3 -
Comments: Eike Gellermann; Uwe Klingebiel; Mathias Noltemeyer; Stefan Schmatz Silyl Group Insertion into the N-N Bond: Experimental and Quantum Chemical Results Journal of the American Chemical Society 123 (2001) 378-382
Space group: P 1 21 1
Cell volume: 1534.4
Cell parameters: 8.4817; 11.1925; 16.342; 90; 98.482; 90;  

COD ID: 4115419
CIF file Formula: - C24 H30 Cl Cu3 N13 O14 -
Comments: Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts Journal of the American Chemical Society 123 (2001) 383-387
Space group: P n -3 m :2
Cell volume: 3914.43
Cell parameters: 15.76; 15.76; 15.76; 90; 90; 90;  

COD ID: 4115420
CIF file Formula: - C28 H47 Br N2 Ru2 -
Comments: Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima (η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals Journal of the American Chemical Society 123 (2001) 500-501
Space group: P 1 21/n 1
Cell volume: 2879.96
Cell parameters: 9.7616; 15.8832; 18.6844; 90; 96.205; 90;  

COD ID: 4115421
CIF file Formula: - C38 H58 Br N3 -
Comments: Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima (η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals Journal of the American Chemical Society 123 (2001) 500-501
Space group: P 1 21/n 1
Cell volume: 3761
Cell parameters: 9.5292; 23.655; 17.134; 90; 103.147; 90;  

COD ID: 4115422
CIF file Formula: - C15 H21 Br O -
Comments: Sergey N. Fedorov; Oleg S. Radchenko; Larisa K. Shubina; Anatoly I. Kalinovsky; Andrey V. Gerasimenko; Dmitry Y. Popov; Valentin A. Stonik Aplydactone, a New Sesquiterpenoid with an Unprecedented Carbon Skeleton from the Sea Hare Aplysia dactylomela, and Its Cargill-Like Rearrangement Journal of the American Chemical Society 123 (2001) 504-505
Space group: P 1 21 1
Cell volume: 679.64
Cell parameters: 7.1894; 12.3968; 7.6376; 90; 93.202; 90;  

COD ID: 4115423
CIF file Formula: - C4 F22 O4 Pt Sb4 -
Comments: Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study Journal of the American Chemical Society 123 (2001) 588-602
Space group: P 1 21/c 1
Cell volume: 2155.7
Cell parameters: 12.757; 9.726; 17.8576; 90; 103.358; 90;  

COD ID: 4115424
CIF file Formula: - C4 F22 O4 Pd Sb4 -
Comments: Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study Journal of the American Chemical Society 123 (2001) 588-602
Space group: P 1 21/c 1
Cell volume: 2164.2
Cell parameters: 12.583; 9.8172; 17.9895; 90; 103.118; 90;  

COD ID: 4115425
CIF file Formula: - C53 H50 Ag2 Cl2 N4 O11 Pt2 -
Comments: Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito A Helical Metal-Metal Bonded Chain via the PtρightarrowAg Dative Bond Journal of the American Chemical Society 123 (2001) 743-744
Space group: P 61
Cell volume: 7898.1
Cell parameters: 14.805; 14.805; 41.608; 90; 90; 120;  

COD ID: 4115426
CIF file Formula: - C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -
Comments: Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito A Helical Metal-Metal Bonded Chain via the PtρightarrowAg Dative Bond Journal of the American Chemical Society 123 (2001) 743-744
Space group: P 1 21/n 1
Cell volume: 6789.2
Cell parameters: 16.7243; 23.9731; 16.9345; 90; 90.625; 90;  

COD ID: 4115427
CIF file Formula: - C84 H76 F60 N42 Ni5 Sb10 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: C 1 2/c 1
Cell volume: 14460
Cell parameters: 17.933; 28.314; 29.459; 90; 104.82; 90;  

COD ID: 4115428
CIF file Formula: - C72 H68 B8 F32 N36 Zn4 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: P -1
Cell volume: 5144
Cell parameters: 13.924; 17.071; 21.94; 94.458; 92.51; 97.79;  

COD ID: 4115429
CIF file Formula: - C70 H65 Cl8 N35 O32 Zn4 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: C 1 2/c 1
Cell volume: 9366
Cell parameters: 20.377; 16.634; 28.283; 90; 102.3; 90;  

COD ID: 4115430
CIF file Formula: - C74 H73 Cl8 N36 Ni4 O33 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: P 1 21/n 1
Cell volume: 10415
Cell parameters: 15.082; 31.922; 22.305; 90; 104.11; 90;  

COD ID: 4115431
CIF file Formula: - C26 H47 N9 O13 Pt2 -
Comments: Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones Journal of the American Chemical Society 123 (2001) 569-575
Space group: P 1 21/c 1
Cell volume: 3738.3
Cell parameters: 10.133; 9.684; 38.1; 90; 90.86; 90;  

COD ID: 4115432
CIF file Formula: - C15 H39 N9 O13 Pt2 -
Comments: Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones Journal of the American Chemical Society 123 (2001) 569-575
Space group: P -1
Cell volume: 1533.1
Cell parameters: 10.105; 17.225; 9.522; 104.5; 96.9; 73.07;  

COD ID: 4115433
CIF file Formula: - C16 H41 Ge N Si4 -
Comments: Karla A. Miller; Thomas W. Watson; John E. Bender; Mark M. Banaszak Holl; Jeff W. Kampf Intermolecular C-H Insertions and Cyclization Reactions Involving a Stable Germylene Journal of the American Chemical Society 123 (2001) 982-983
Space group: A b a 2
Cell volume: 2503.06
Cell parameters: 14.2877; 21.2552; 8.2422; 90; 90; 90;  

COD ID: 4115434
CIF file Formula: - C105 H72 Br2 Cl18 -
Comments: Sepas Setayesh; Andrew C. Grimsdale; Tanja Weil; Volker Enkelmann; Klaus Müllen; Farideh Meghdadi; Emil J. W. List; Günther Leising Polyfluorenes with Polyphenylene Dendron Side Chains: Toward Non-Aggregating, Light-Emitting Polymers Journal of the American Chemical Society 123 (2001) 946-953
Space group: P -1
Cell volume: 4927
Cell parameters: 11.175; 17.992; 25.141; 94.951; 101.792; 90.832;  

COD ID: 4115435
CIF file Formula: - C18 H18 O4 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 1 21/c 1
Cell volume: 1755.9
Cell parameters: 8.969; 12.5676; 15.6444; 90; 95.293; 90;  

COD ID: 4115436
CIF file Formula: - C28 H36 Fe2 N2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 21 21 21
Cell volume: 2903.7
Cell parameters: 10.7903; 15.1341; 17.7815; 90; 90; 90;  

COD ID: 4115437
CIF file Formula: - C22 H24 N2 O2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: R -3 :H
Cell volume: 10083
Cell parameters: 33.198; 33.198; 10.5639; 90; 90; 120;  

COD ID: 4115438
CIF file Formula: - C22 H24 N2 O2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 21 21 21
Cell volume: 2249.3
Cell parameters: 8.778; 12.643; 20.268; 90; 90; 90;  

COD ID: 4115439
CIF file Formula: - C24 H24 N2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 21 21 21
Cell volume: 2210.9
Cell parameters: 7.6738; 11.0274; 26.127; 90; 90; 90;  

COD ID: 4115440
CIF file Formula: - C28 H49 N11 O13.5 S Y -
Comments: Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+ Journal of the American Chemical Society 123 (2001) 1123-1132
Space group: P 1 21/c 1
Cell volume: 7795
Cell parameters: 18.912; 17.042; 24.318; 90; 95.99; 90;  

COD ID: 4115441
CIF file Formula: - C28 H51 N11 O14 S Zn -
Comments: Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+ Journal of the American Chemical Society 123 (2001) 1123-1132
Space group: C 1 2/c 1
Cell volume: 7892.4
Cell parameters: 35.361; 13.7298; 18.5998; 90; 119.073; 90;  

COD ID: 4115442
CIF file Formula: - Ga Nd Sb2 -
Comments: Allison M. Mills; Arthur Mar Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm) Journal of the American Chemical Society 123 (2001) 1151-1158
Space group: I 41/a m d :2
Cell volume: 843
Cell parameters: 4.3486; 4.3486; 44.579; 90; 90; 90;  

COD ID: 4115443
CIF file Formula: - Ga Sb2 Sm -
Comments: Allison M. Mills; Arthur Mar Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm) Journal of the American Chemical Society 123 (2001) 1151-1158
Space group: C 2 2 21
Cell volume: 412.36
Cell parameters: 4.3087; 22.093; 4.3319; 90; 90; 90;  

COD ID: 4115444
CIF file Formula: - C37 H18 Ag24 B2 F53 N3 O39 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Elliptic Column Consolidated by Acetylide Dianion, Cyanide, and Trifluoroacetate in a Novel Quadruple Salt of Silver(I) Journal of the American Chemical Society 123 (2001) 1501-1502
Space group: C 1 2/c 1
Cell volume: 10335
Cell parameters: 26.372; 25.257; 15.9775; 90; 103.804; 90;  

COD ID: 4115445
CIF file Formula: - C76 H85 Fe N4 O5 -
Comments: Chen-Yu Yeh; Christopher J. Chang; Daniel G. Nocera "Hangman" Porphyrins for the Assembly of a Model Heme Water Channel Journal of the American Chemical Society 123 (2001) 1513-1514
Space group: P -1
Cell volume: 3236.3
Cell parameters: 13.348; 15.716; 17.509; 70.287; 84.608; 69.442;  

COD ID: 4115446
CIF file Formula: - C8 H F12 I O2 -
Comments: Takayuki Kawashima; Kazuhisa Hoshiba; Naokazu Kano Synthesis, Structure, and Reactions of a Tricoordinate 1,2-Iodoxetane Journal of the American Chemical Society 123 (2001) 1507-1508
Space group: P 1 21/c 1
Cell volume: 1304.4
Cell parameters: 6.845; 17.687; 10.888; 90; 98.28; 90;  

COD ID: 4115447
CIF file Formula: - C6 H10 I3 N2 S2 -
Comments: Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2 Journal of the American Chemical Society 123 (2001) 1788-1789
Space group: C 1 2/c 1
Cell volume: 1424.5
Cell parameters: 8.764; 11.259; 14.458; 90; 93.13; 90;  

COD ID: 4115448
CIF file Formula: - C12 H20 I6 N4 Pt S4 -
Comments: Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2 Journal of the American Chemical Society 123 (2001) 1788-1789
Space group: P 1 21/n 1
Cell volume: 1447.5
Cell parameters: 9.072; 13.303; 12.611; 90; 107.99; 90;  

COD ID: 4115449
CIF file Formula: - C64 H86 Cd4 Cl4 N2 O Se6 -
Comments: V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules Journal of the American Chemical Society 123 (2001) 2354-2364
Space group: P 1 21/c 1
Cell volume: 7612
Cell parameters: 22.81; 13.15; 27.67; 90; 113.48; 90;  

COD ID: 4115450
CIF file Formula: - C108 H144 Cd10 P4 Se16 -
Comments: V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules Journal of the American Chemical Society 123 (2001) 2354-2364
Space group: I 41/a :2
Cell volume: 13144
Cell parameters: 25.441; 25.441; 20.308; 90; 90; 90;  

COD ID: 4115451
CIF file Formula: - C300 H304 Cd25 Cl4 O6 P4 Se41 -
Comments: V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules Journal of the American Chemical Society 123 (2001) 2354-2364
Space group: F 2 3
Cell volume: 34850
Cell parameters: 32.664; 32.664; 32.664; 90; 90; 90;  

COD ID: 4115452
CIF file Formula: - C51 H68 B Ca N O7 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: P 1 21/n 1
Cell volume: 4797.7
Cell parameters: 16.7447; 18.4217; 17.3976; 90; 116.619; 90;  

COD ID: 4115453
CIF file Formula: - C50 H66 B Mg N O6 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: P -1
Cell volume: 2329.1
Cell parameters: 13.2719; 15.321; 12.3308; 108.05; 94.392; 99.524;  

COD ID: 4115454
CIF file Formula: - C102 H140 B2 N2 O15 Sr2 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: P 1 21/n 1
Cell volume: 10153.8
Cell parameters: 19.3828; 17.9403; 30.596; 90; 107.374; 90;  

COD ID: 4115455
CIF file Formula: - C53 H78 B Ca N O9 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: C 1 2/c 1
Cell volume: 11017.3
Cell parameters: 35.486; 17.9443; 17.8958; 90; 104.803; 90;  

COD ID: 4115456
CIF file

HKL data

 Formula: - O2 Si -
Comments: Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study Journal of the American Chemical Society 123 (2001) 2204-2212
Space group: P n m a
Cell volume: 5375.47
Cell parameters: 20.11351; 19.92999; 13.40977; 90; 90; 90;  

COD ID: 4115457
CIF file

HKL data

 Formula: - O2 Si -
Comments: Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study Journal of the American Chemical Society 123 (2001) 2204-2212
Space group: P n m a
Cell volume: 5348.39
Cell parameters: 20.07147; 19.90742; 13.38532; 90; 90; 90;  

COD ID: 4115458
CIF file

HKL data

 Formula: - O2 Si -
Comments: Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study Journal of the American Chemical Society 123 (2001) 2204-2212
Space group: P n m a
Cell volume: 5387.32
Cell parameters: 20.12825; 19.9449; 13.41945; 90; 90; 90;  

COD ID: 4115459
CIF file Formula: - C27 H42 O2 -
Comments: Teck-Peng Loh; Qi-Ying Hu; Li-Ting Ma Formation of Tetrahydrofuran from Homoallylic Alcohol via a Tandem Sequence: 2-Oxonia [3,3]-Sigmatropic Rearrangement/Cyclization Catalyzed by In(OTf)3 Journal of the American Chemical Society 123 (2001) 2450-2451
Space group: P 21 21 21
Cell volume: 2351.5
Cell parameters: 6.0506; 17.507; 22.199; 90; 90; 90;  

COD ID: 4115460
CIF file Formula: - C23 H40 O6 -
Comments: Kenji Kinoshita; Paul G Williard; Chaitan Khosla; David E. Cane Precursor-Directed Biosynthesis of 16-Membered Macrolides by the Erythromycin Polyketide Synthase Journal of the American Chemical Society 123 (2001) 2495-2502
Space group: P 1 21 1
Cell volume: 2462
Cell parameters: 10.552; 18.024; 13.083; 90; 98.296; 90;  

COD ID: 4115461
CIF file Formula: - C9 H11 N3 O3 -
Comments: Lakshmaiah Gingipalli; Peter C. Dedon Reaction of cis- and trans-2-Butene-1,4-dial with 2'-Deoxycytidine to Form Stable Oxadiazabicyclooctaimine Adducts Journal of the American Chemical Society 123 (2001) 2664-2665
Space group: F d d 2
Cell volume: 3694.9
Cell parameters: 21.523; 23.449; 7.3211; 90; 90; 90;  

COD ID: 4115462
CIF file Formula: - C48 H54 Cl N3 Na O6 Ru3 -
Comments: Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+ Journal of the American Chemical Society 123 (2001) 2699-2700
Space group: P c c n
Cell volume: 19100.7
Cell parameters: 27.8463; 36.2391; 18.928; 90; 90; 90;  

COD ID: 4115463
CIF file Formula: - C48.5 H65 N3 O11 Ru3 -
Comments: Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+ Journal of the American Chemical Society 123 (2001) 2699-2700
Space group: P -1
Cell volume: 2427.2
Cell parameters: 9.8458; 11.7704; 21.5444; 97.819; 90.981; 100.83;  

COD ID: 4115464
CIF file Formula: - C59 H69 Cl Li N3 O7 Ru3 -
Comments: Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+ Journal of the American Chemical Society 123 (2001) 2699-2700
Space group: P -1
Cell volume: 2824.7
Cell parameters: 11.1892; 14.4902; 18.7244; 105.12; 95.4252; 102.472;  

COD ID: 4115465
CIF file Formula: - C20 H25 N3 O2 S -
Comments: Frank Würthner; Sheng Yao; Joachim Schilling; Rüdiger Wortmann; Mesfin Redi-Abshiro; Erwin Mecher; Francisco Gallego-Gomez; Klaus Meerholz ATOP Dyes. Optimization of a Multifunctional Merocyanine Chromophore for High Refractive Index Modulation in Photorefractive Materials Journal of the American Chemical Society 123 (2001) 2810-2824
Space group: P 1 21/c 1
Cell volume: 1967.9
Cell parameters: 10.9561; 8.4306; 21.382; 90; 94.836; 90;  

COD ID: 4115466
CIF file Formula: - C98 H80 As3 La O9 -
Comments: Tetsuhiro Nemoto; Takashi Ohshima; Kentaro Yamaguchi; Masakatsu Shibasaki Catalytic Asymmetric Epoxidation of Enones Using La-BINOL-Triphenylarsine Oxide Complex: Structural Determination of the Asymmetric Catalyst Journal of the American Chemical Society 123 (2001) 2725-2732
Space group: P 31 2 1
Cell volume: 7153.8
Cell parameters: 17.6048; 17.6048; 26.653; 90; 90; 120;  

COD ID: 4115467
CIF file Formula: - C38 H41 F3 O3 Si -
Comments: Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums Journal of the American Chemical Society 123 (2001) 3143-3144
Space group: P 1 21 1
Cell volume: 1693.16
Cell parameters: 9.0758; 20.0931; 9.8574; 90; 109.627; 90;  

COD ID: 4115468
CIF file Formula: - C19 H40 B K N2 O8 -
Comments: Roger Alberto; Kirstin Ortner; Nigel Wheatley; Roger Schibli; August P. Schubiger Synthesis and Properties of Boranocarbonate: A Convenient in Situ CO Source for the Aqueous Preparation of [99mTc(OH2)3(CO)3]+ Journal of the American Chemical Society 123 (2001) 3135-3136
Space group: P -1
Cell volume: 1289
Cell parameters: 11.1315; 11.4183; 12.4438; 106.269; 105.153; 111.573;  

COD ID: 4115469
CIF file Formula: - C324 H368 B8 Cl4 La4 N20 O52 -
Comments: De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies Journal of the American Chemical Society 123 (2001) 3401-3402
Space group: P 1 c 1
Cell volume: 16157
Cell parameters: 15.134; 47.621; 22.431; 90; 91.947; 90;  

COD ID: 4115470
CIF file Formula: - C92.5 H98 B3 La N5 O12.5 -
Comments: De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies Journal of the American Chemical Society 123 (2001) 3401-3402
Space group: P b c n
Cell volume: 16814
Cell parameters: 48.422; 21.958; 15.814; 90; 90; 90;  

COD ID: 4115471
CIF file Formula: - C31 H37 O3 P -
Comments: Junji Kobayashi; Kei Goto; Takayuki Kawashima 5-Carbaphosphatranes: The First Main Group Atrane Bearing a 1-5 Covalent Bond Journal of the American Chemical Society 123 (2001) 3387-3388
Space group: P 1 21/c 1
Cell volume: 2742.7
Cell parameters: 15.963; 11.278; 15.269; 90; 93.842; 90;  

COD ID: 4115472
CIF file Formula: - Cs3.75 Na0.31 Sn20.33 -
Comments: Svilen Bobev; Slavi C. Sevov Clathrate III of Group 14 Exists After All Journal of the American Chemical Society 123 (2001) 3389-3390
Space group: P 42/m n m
Cell volume: 6706.1
Cell parameters: 23.5389; 23.5389; 12.1031; 90; 90; 90;  

COD ID: 4115473
CIF file Formula: - Cs3.75 Na0.36 Sn20.29 -
Comments: Svilen Bobev; Slavi C. Sevov Clathrate III of Group 14 Exists After All Journal of the American Chemical Society 123 (2001) 3389-3390
Space group: P 42/m n m
Cell volume: 6716.7
Cell parameters: 23.5566; 23.5566; 12.104; 90; 90; 90;  

COD ID: 4115474
CIF file Formula: - Cs1.72 Na0.35 Rb2.03 Sn20.31 -
Comments: Svilen Bobev; Slavi C. Sevov Clathrate III of Group 14 Exists After All Journal of the American Chemical Society 123 (2001) 3389-3390
Space group: P 42/m n m
Cell volume: 6669.4
Cell parameters: 23.49; 23.49; 12.087; 90; 90; 90;  

COD ID: 4115475
CIF file Formula: - C14 H10 Cl0.5 K0.5 Mo O8 -
Comments: Teerayuth Liwporncharoenvong; Rudy L. Luck Quadruply Bonded Dimolybdenum Atoms Surrounded by Dendrons: Preparation, Characterization, and Electrochemistry Journal of the American Chemical Society 123 (2001) 3615-3616
Space group: F 2 2 2
Cell volume: 5210
Cell parameters: 13.06; 19.961; 19.985; 90; 90; 90;  

COD ID: 4115476
CIF file Formula: - C53 H69 O3 P Pd2 Ru2 S4 Ti2 -
Comments: Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne Journal of the American Chemical Society 123 (2001) 3826-3827
Space group: C 1 c 1
Cell volume: 5680
Cell parameters: 23.873; 11.955; 22.234; 90; 116.47; 90;  

COD ID: 4115477
CIF file Formula: - C58 H71 O6 P Pd2 Ru2 S4 Ti2 -
Comments: Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne Journal of the American Chemical Society 123 (2001) 3826-3827
Space group: P b c a
Cell volume: 12027
Cell parameters: 25.129; 25.477; 18.786; 90; 90; 90;  

COD ID: 4115478
CIF file Formula: - C21 H24 F3 O3 S9 -
Comments: Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts Journal of the American Chemical Society 123 (2001) 3852-3853
Space group: P -1
Cell volume: 1401.2
Cell parameters: 8.598; 12.995; 13.081; 75.36; 87.35; 82.3;  

COD ID: 4115479
CIF file Formula: - C14 H10 F6 O7 S10 -
Comments: Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts Journal of the American Chemical Society 123 (2001) 3852-3853
Space group: P 1 21/c 1
Cell volume: 2592.1
Cell parameters: 21.53; 7.9538; 15.846; 90; 72.79; 90;  

COD ID: 4115480
CIF file Formula: - C13 Cl9 -
Comments: P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon Perchlorophenalenyl Radical Journal of the American Chemical Society 123 (2001) 3864-3871
Space group: R 3 m :H
Cell volume: 1145
Cell parameters: 18.704; 18.704; 3.7792; 90; 90; 120;  

COD ID: 4115481
CIF file

HKL data

 Formula: - C56 H98 O36.078 -
Comments: John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule Journal of the American Chemical Society 123 (2001) 3919-3926
Space group: P 21 21 21
Cell volume: 6905.5
Cell parameters: 13.328; 17.41; 29.76; 90; 90; 90;  

COD ID: 4115482
CIF file

HKL data

 Formula: - C56 H97 O49.7 -
Comments: John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule Journal of the American Chemical Society 123 (2001) 3919-3926
Space group: P 21 21 21
Cell volume: 8359
Cell parameters: 13.976; 20.763; 28.807; 90; 90; 90;  

COD ID: 4115483
CIF file Formula: - C108 H204 Bi6 K6 Mo4 N16 O42 -
Comments: Li Xu; Angel Ugrinov; Slavi C. Sevov Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3- Journal of the American Chemical Society 123 (2001) 4091-4092
Space group: P -1
Cell volume: 7599
Cell parameters: 12.635; 21.115; 29.197; 91.602; 102.387; 91.953;  

COD ID: 4115484
CIF file Formula: - C106 H196 Bi6 Cr4 K6 N14 O42 -
Comments: Li Xu; Angel Ugrinov; Slavi C. Sevov Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3- Journal of the American Chemical Society 123 (2001) 4091-4092
Space group: P -1
Cell volume: 3794.9
Cell parameters: 12.679; 17.724; 18.254; 71.31; 81.37; 78.82;  

COD ID: 4115485
CIF file Formula: - C43 H83.5 Mo6 N3 O18.25 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P -1
Cell volume: 5768.6
Cell parameters: 12.4636; 19.092; 25.5423; 104.284; 92.547; 100.368;  

COD ID: 4115486
CIF file Formula: - C41.5 H83 I Mo6 N3 O18.5 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P -1
Cell volume: 5765.5
Cell parameters: 12.4358; 19.0658; 25.4922; 103.726; 92.319; 99.787;  

COD ID: 4115487
CIF file Formula: - C40 H81 Mo6 N3 O18 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P -1
Cell volume: 2749.1
Cell parameters: 12.1352; 12.4919; 19.6515; 107.323; 97.324; 100.018;  

COD ID: 4115488
CIF file Formula: - C50 H114 Mo8 N6 O28 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P 1 21/n 1
Cell volume: 3703.3
Cell parameters: 13.3842; 17.2197; 16.3424; 90; 100.512; 90;  

COD ID: 4115489
CIF file Formula: - C27 H52 P2 Pd -
Comments: Steven M. Reid; Joel T. Mague; Mark J. Fink Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes Journal of the American Chemical Society 123 (2001) 4081-4082
Space group: P b c a
Cell volume: 5786.5
Cell parameters: 16.633; 14.7594; 23.571; 90; 90; 90;  

COD ID: 4115490
CIF file Formula: - C50 H92 P4 Pd2 -
Comments: Steven M. Reid; Joel T. Mague; Mark J. Fink Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes Journal of the American Chemical Society 123 (2001) 4081-4082
Space group: P 1 21/n 1
Cell volume: 5207.5
Cell parameters: 16.3049; 19.636; 16.8965; 90; 105.713; 90;  

COD ID: 4115491
CIF file Formula: - C7 H20 P2 Pd -
Comments: Steven M. Reid; Joel T. Mague; Mark J. Fink Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes Journal of the American Chemical Society 123 (2001) 4081-4082
Space group: P 1 21/c 1
Cell volume: 2263.3
Cell parameters: 12.4484; 11.1542; 16.7454; 90; 103.242; 90;  

COD ID: 4115492
CIF file Formula: - C99 H90 Cl4 N4 Ru -
Comments: Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex Journal of the American Chemical Society 123 (2001) 4119-4129
Space group: P 21 21 21
Cell volume: 8342.3
Cell parameters: 14.687; 20.6491; 27.5075; 90; 90; 90;  

COD ID: 4115493
CIF file Formula: - C98 H92 Cl6 N4 O2 Ru -
Comments: Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex Journal of the American Chemical Society 123 (2001) 4119-4129
Space group: P 1 21 1
Cell volume: 4270.4
Cell parameters: 14.2648; 18.1252; 16.7048; 90; 98.612; 90;  

COD ID: 4115494
CIF file Formula: - C24 H24 F6 P S16 -
Comments: Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-] Journal of the American Chemical Society 123 (2001) 4174-4180
Space group: P -1
Cell volume: 898.5
Cell parameters: 8.503; 17.34; 6.5329; 94.07; 110.73; 89.36;  

COD ID: 4115495
CIF file Formula: - C24 H24 As F6 S16 -
Comments: Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-] Journal of the American Chemical Society 123 (2001) 4174-4180
Space group: P -1
Cell volume: 904.3
Cell parameters: 8.523; 17.449; 6.518; 93.95; 110.74; 89.13;  

COD ID: 4115496
CIF file Formula: - C24 H24 F6 S16 Sb -
Comments: Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-] Journal of the American Chemical Society 123 (2001) 4174-4180
Space group: P -1
Cell volume: 919.6
Cell parameters: 8.579; 17.636; 6.514; 93.79; 110.75; 89;  

COD ID: 4115497
CIF file Formula: - Te Zr -
Comments: Gissur Örlygsson; Bernd Harbrecht Structure, Properties, and Bonding of ZrTe (MnP Type), a Low-Symmetry, High-Temperature Modification of ZrTe (WC Type) Journal of the American Chemical Society 123 (2001) 4168-4173
Space group: P n m a
Cell volume: 193.6
Cell parameters: 7.3915; 3.7723; 6.9434; 90; 90; 90;  

COD ID: 4115498
CIF file Formula: - C32 H30 N2 O4 Pt Se2 -
Comments: Vincenzo G. Albano; Magda Monari; Ida Orabona; Achille Panunzi; Francesco Ruffo Oxidative Additions of E-E Bonds (E = Chalcogen) to Group 10 Metals: "Tunable" Cleavage of Se-Se Bonds by Pt(0) Complexes Journal of the American Chemical Society 123 (2001) 4352-4353
Space group: P 1 21/c 1
Cell volume: 2992.4
Cell parameters: 13.296; 11.8738; 19.282; 90; 100.581; 90;  

COD ID: 4115499
CIF file Formula: - C12 H24 N6 O7 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: C m c m
Cell volume: 2011.4
Cell parameters: 7.5299; 12.4646; 21.4301; 90; 90; 90;  

COD ID: 4115500
CIF file Formula: - C13 H17 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 21/n 1
Cell volume: 1557.1
Cell parameters: 7.6465; 11.6218; 17.625; 90; 96.211; 90;  

COD ID: 4115501
CIF file Formula: - C12 H18 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3008.9
Cell parameters: 13.4285; 12.5989; 17.785; 90; 90; 90;  

COD ID: 4115502
CIF file Formula: - C12 H18 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3085.3
Cell parameters: 13.1459; 12.4292; 18.8824; 90; 90; 90;  

COD ID: 4115503
CIF file Formula: - C14 H16 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3069.8
Cell parameters: 13.36; 12.6471; 18.1682; 90; 90; 90;  

COD ID: 4115504
CIF file Formula: - C9 H12 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 560.98
Cell parameters: 6.2166; 7.1847; 13.1213; 74.725; 83.331; 85.826;  

COD ID: 4115505
CIF file Formula: - C10 H14 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 606.91
Cell parameters: 7.2609; 7.4075; 13.1537; 89.189; 77.186; 62.193;  

COD ID: 4115506
CIF file Formula: - C18 H24 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 21/n 1
Cell volume: 1892.5
Cell parameters: 7.5334; 12.2651; 20.6209; 90; 96.645; 90;  

COD ID: 4115507
CIF file Formula: - C17 H19 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3716.77
Cell parameters: 13.3756; 12.4586; 22.304; 90; 90; 90;  

COD ID: 4115508
CIF file Formula: - C22 H19 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3907.7
Cell parameters: 13.4471; 12.1155; 23.9856; 90; 90; 90;  

COD ID: 4115509
CIF file Formula: - C54 H44 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 4512.4
Cell parameters: 13.6864; 12.4544; 26.4727; 90; 90; 90;  

COD ID: 4115510
CIF file Formula: - C12 H15 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 661.06
Cell parameters: 6.2024; 7.1901; 15.1836; 80.859; 82.235; 85.208;  

COD ID: 4115511
CIF file Formula: - C12 H15 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 662.99
Cell parameters: 6.2001; 7.3015; 15.145; 103.134; 94.777; 93.607;  

COD ID: 4115512
CIF file Formula: - C16 H15 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 21/n 1
Cell volume: 1521.2
Cell parameters: 7.4472; 9.8732; 20.756; 90; 94.601; 90;  

COD ID: 4115513
CIF file Formula: - C52 H50 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 n 1
Cell volume: 2352.5
Cell parameters: 7.4697; 26.627; 11.8358; 90; 92.1; 90;  

COD ID: 4115514
CIF file Formula: - C28 H22 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 4544
Cell parameters: 13.7891; 12.3034; 26.784; 90; 90; 90;  

COD ID: 4115515
CIF file Formula: - C10 H28 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P n a 21
Cell volume: 6181.8
Cell parameters: 12.6576; 42.116; 11.5962; 90; 90; 90;  

COD ID: 4115516
CIF file Formula: - C16 H42 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P n m a
Cell volume: 2405.2
Cell parameters: 14.426; 7.4303; 22.4383; 90; 90; 90;  

COD ID: 4115517
CIF file Formula: - C21 H28 N6 O7 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 2702.7
Cell parameters: 7.5011; 12.0916; 29.989; 84.585; 86.477; 89.229;  

COD ID: 4115518
CIF file Formula: - C20 H29 N9 O7 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 21 21 21
Cell volume: 2993.8
Cell parameters: 7.4659; 13.7874; 29.0841; 90; 90; 90;  

COD ID: 4115519
CIF file Formula: - C24 H36 N6 O8 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 21 21 21
Cell volume: 2994.2
Cell parameters: 7.5839; 14.228; 27.7485; 90; 90; 90;  

COD ID: 4115520
CIF file Formula: - C15 H32 N6 O8 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: C m c 21
Cell volume: 2438.1
Cell parameters: 7.5013; 20.576; 15.796; 90; 90; 90;  

COD ID: 4115521
CIF file Formula: - C9.5 H19 N3 O4.5 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P n m a
Cell volume: 3093
Cell parameters: 21.1037; 7.5867; 19.3182; 90; 90; 90;  

COD ID: 4115522
CIF file Formula: - C29 H24 N4 O9 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: F d d d :2
Cell volume: 10642
Cell parameters: 24.365; 28.629; 15.257; 90; 90; 90;  

COD ID: 4115523
CIF file Formula: - C39.5 H28 N6 O13 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P 42/n :2
Cell volume: 3986
Cell parameters: 13.139; 13.139; 23.087; 90; 90; 90;  

COD ID: 4115524
CIF file Formula: - C29 H19.33 N4.67 O9.33 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P 42/n :2
Cell volume: 3878
Cell parameters: 13.055; 13.055; 22.754; 90; 90; 90;  

COD ID: 4115525
CIF file Formula: - C57 H39 Br N8 O17 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5238.4
Cell parameters: 18.34; 15.68; 18.216; 90; 90; 90;  

COD ID: 4115526
CIF file Formula: - C28.5 H20 N4 O8.5 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5203.2
Cell parameters: 18.236; 15.685; 18.191; 90; 90; 90;  

COD ID: 4115527
CIF file Formula: - C29 H21 N4 O8.5 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5244.2
Cell parameters: 18.257; 15.668; 18.333; 90; 90; 90;  

COD ID: 4115528
CIF file Formula: - C29 H21 N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5213.6
Cell parameters: 18.246; 15.668; 18.237; 90; 90; 90;  

COD ID: 4115529
CIF file Formula: - C56 H36 Cl N8 O16 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5191.6
Cell parameters: 18.228; 15.645; 18.205; 90; 90; 90;  

COD ID: 4115530
CIF file Formula: - C25.33333 H16.33333 Cl N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: R -3 :H
Cell volume: 10893
Cell parameters: 22.276; 22.276; 25.348; 90; 90; 120;  

COD ID: 4115531
CIF file Formula: - C25.33333 H16.33333 Br N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: R -3 :R
Cell volume: 3662.8
Cell parameters: 15.437; 15.437; 15.437; 93.02; 93.02; 93.02;  

COD ID: 4115532
CIF file Formula: - C26 H18.33 N4.33 O8.33 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: R -3 :R
Cell volume: 3666.4
Cell parameters: 15.427; 15.427; 15.427; 91.73; 91.73; 91.73;  

COD ID: 4115533
CIF file Formula: - C43 H40 N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P -1
Cell volume: 1941.4
Cell parameters: 9.968; 13.147; 15.747; 72.4; 80.83; 88.49;  

COD ID: 4115534
CIF file Formula: - C33 H27 N5 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P -4 21 c
Cell volume: 1910
Cell parameters: 10.9385; 10.9385; 15.9633; 90; 90; 90;  

COD ID: 4115535
CIF file Formula: - C33 H26 N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: C 1 2/c 1
Cell volume: 11815
Cell parameters: 18.642; 18.706; 34.164; 90; 97.36; 90;  

COD ID: 4115536
CIF file Formula: - C26 H44 O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 2441
Cell parameters: 9.886; 37.5; 6.5844; 90; 90; 90;  

COD ID: 4115537
CIF file Formula: - C28 H47 N O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 2791.7
Cell parameters: 17.829; 18.906; 8.282; 90; 90; 90;  

COD ID: 4115538
CIF file Formula: - C29 H47 N O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 2865.8
Cell parameters: 17.772; 19.183; 8.406; 90; 90; 90;  

COD ID: 4115539
CIF file Formula: - C34 H52 O6 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 3247.2
Cell parameters: 14.718; 26.601; 8.294; 90; 90; 90;  

COD ID: 4115540
CIF file Formula: - C36 H52 O6 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 1 21 1
Cell volume: 1628.6
Cell parameters: 14.101; 8.036; 15.75; 90; 114.144; 90;  

COD ID: 4115541
CIF file Formula: - C37 H54 O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 1 21 1
Cell volume: 1661.3
Cell parameters: 14.02; 7.933; 15.804; 90; 109.07; 90;  

COD ID: 4115542
CIF file Formula: - C48 H50 Fe N2 O4 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P 1 21/n 1
Cell volume: 4015.5
Cell parameters: 12.4478; 19.9561; 17.2865; 90; 110.752; 90;  

COD ID: 4115543
CIF file Formula: - C94 H92 Cl4 Fe2 N4 O8 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P -1
Cell volume: 2130.68
Cell parameters: 11.6032; 14.0661; 15.2839; 101.305; 108.13; 108.161;  

COD ID: 4115544
CIF file Formula: - C116 H104 Fe2 N4 O8 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P -1
Cell volume: 2380.64
Cell parameters: 11.3953; 14.7207; 15.2957; 77.836; 72.173; 82.162;  

COD ID: 4115545
CIF file Formula: - C123.5 H109 Cl2 Fe2 N4 O10 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P -1
Cell volume: 5493.9
Cell parameters: 15.0043; 16.907; 24.019; 95.57; 108.017; 104.939;  

COD ID: 4115546
CIF file Formula: - C17 H25 N O5 -
Comments: Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs Journal of the American Chemical Society 123 (2001) 4469-4474
Space group: P 21 21 21
Cell volume: 1713.07
Cell parameters: 13.1394; 23.1711; 5.6267; 90; 90; 90;  

COD ID: 4115547
CIF file Formula: - C16 H23 N O5 -
Comments: Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs Journal of the American Chemical Society 123 (2001) 4469-4474
Space group: P 21 21 21
Cell volume: 1663.29
Cell parameters: 12.7757; 22.5429; 5.7753; 90; 90; 90;  

COD ID: 4115548
CIF file Formula: - C16 H28 N2 O5 -
Comments: Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs Journal of the American Chemical Society 123 (2001) 4469-4474
Space group: P 1 21 1
Cell volume: 904.24
Cell parameters: 11.5479; 5.9499; 14.0742; 90; 110.759; 90;  

COD ID: 4115549
CIF file Formula: - C24 F14 S6 -
Comments: Youichi Sakamoto; Shingo Komatsu; Toshiyasu Suzuki Tetradecafluorosexithiophene: The First Perfluorinated Oligothiophene Journal of the American Chemical Society 123 (2001) 4643-4644
Space group: P 1 21/c 1
Cell volume: 1236.3
Cell parameters: 18.549; 5.323; 13.214; 90; 108.631; 90;  

COD ID: 4115550
CIF file Formula: - C21 H31 N O4 -
Comments: Toshihiro Nishikawa; Hirotada Kakiya; Hiroshi Shinokubo; Koichiro Oshima Novel [2 + 2 + 2] Annulation of 1,6-Diynes Mediated by Methallylchromate or Methallylmagnesium Chloride under CrCl3 Catalysis Journal of the American Chemical Society 123 (2001) 4629-4630
Space group: P -1
Cell volume: 959.7
Cell parameters: 8.774; 11.073; 11.469; 72.3; 68.293; 71.564;  

COD ID: 4115551
CIF file Formula: - C59 H26 F20 N4 O2 Os -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/c 1
Cell volume: 5182.7
Cell parameters: 13.3136; 25.346; 15.93; 90; 105.392; 90;  

COD ID: 4115552
CIF file Formula: - C71 H34 Cl2 F20 N4 O2 Os -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/n 1
Cell volume: 6394.3
Cell parameters: 16.7755; 15.3103; 25.012; 90; 95.515; 90;  

COD ID: 4115553
CIF file Formula: - C59 H24 Cl2 F20 N6 O4 Os S2 -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/c 1
Cell volume: 6445
Cell parameters: 12.792; 18.517; 27.674; 90; 100.532; 90;  

COD ID: 4115554
CIF file Formula: - C45 H12 F20 N4 O3 Os -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/c 1
Cell volume: 2136.9
Cell parameters: 14.507; 13.088; 12.321; 90; 114.013; 90;  

COD ID: 4115555
CIF file Formula: - C6 H11 Cl2 F3 N2 O Si -
Comments: Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons Journal of the American Chemical Society 123 (2001) 4709-4716
Space group: P 1 21/n 1
Cell volume: 1206.1
Cell parameters: 12.487; 7.1123; 13.738; 90; 98.68; 90;  

COD ID: 4115556
CIF file Formula: - C24.5 H34.5 Cl9.5 N4 O3 Si2 -
Comments: Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons Journal of the American Chemical Society 123 (2001) 4709-4716
Space group: P 1 21/n 1
Cell volume: 3798.5
Cell parameters: 11.311; 17.41; 19.369; 90; 95.2; 90;  

COD ID: 4115557
CIF file Formula: - C9 H20 Cl4 N4 O2 Si -
Comments: Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons Journal of the American Chemical Society 123 (2001) 4709-4716
Space group: P 1 21 1
Cell volume: 879.9
Cell parameters: 6.1313; 21.369; 6.79; 90; 98.496; 90;  

COD ID: 4115558
CIF file Formula: - C30 H28 Cl2 N2 Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: P 41 21 2
Cell volume: 5518.25
Cell parameters: 12.7198; 12.7198; 34.1068; 90; 90; 90;  

COD ID: 4115559
CIF file Formula: - C32 H30 Cl2 S2 Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: P 1 21/c 1
Cell volume: 3002.85
Cell parameters: 9.5183; 35.7383; 8.8314; 90; 91.6932; 90;  

COD ID: 4115560
CIF file Formula: - C35 H36 Cl4 S2 Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: P -1
Cell volume: 1754.64
Cell parameters: 11.7096; 12.6751; 12.7721; 96.9974; 106.851; 100.266;  

COD ID: 4115561
CIF file Formula: - C33.5 H32 Cl3 N Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: I 1 2/a 1
Cell volume: 6264.61
Cell parameters: 13.7403; 17.3226; 26.3308; 90; 91.647; 90;  

COD ID: 4115562
CIF file Formula: - C48 H31 N3 S2 -
Comments: Simi K. Pushpan; Alagar Srinivasan; Venkataramanarao G. Anand; Sundararaman Venkatraman; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Hiroyuki Furuta N-Confused Expanded Porphyrin: First Example of a Modified Sapphyrin with an Inverted N-Confused Pyrrole Ring Journal of the American Chemical Society 123 (2001) 5138-5139
Space group: P -1
Cell volume: 3980.1
Cell parameters: 16.9197; 19.477; 12.7815; 96.889; 101.353; 75.1;  

COD ID: 4115563
CIF file Formula: - C4 H7 Au Cl N -
Comments: Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding Journal of the American Chemical Society 123 (2001) 5376-5377
Space group: P n m a
Cell volume: 686.6
Cell parameters: 23.7992; 6.2196; 4.6385; 90; 90; 90;  

COD ID: 4115564
CIF file Formula: - C3 H5 Au Cl N -
Comments: Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding Journal of the American Chemical Society 123 (2001) 5376-5377
Space group: P 1 21 1
Cell volume: 284.09
Cell parameters: 4.4742; 6.3259; 10.0957; 90; 96.167; 90;  

COD ID: 4115565
CIF file Formula: - C14 H23 N S -
Comments: Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism Journal of the American Chemical Society 123 (2001) 5268-5276
Space group: P 21 21 21
Cell volume: 1346.4
Cell parameters: 10.911; 17.975; 6.865; 90; 90; 90;  

COD ID: 4115566
CIF file Formula: - C26 H26 O3 -
Comments: Frédéric Robert; Anne Milet; Yves Gimbert; Denés Konya; Andrew E. Greene Regiochemistry in the Pauson-Khand Reaction: Has a Trans Effect Been Overlooked? Journal of the American Chemical Society 123 (2001) 5396-5400
Space group: P -1
Cell volume: 1033.3
Cell parameters: 5.827; 9.154; 19.59; 90.76; 92.54; 81.82;  

COD ID: 4115567
CIF file Formula: - C66 H86 O26 Ti4 -
Comments: Adel Rammal; Frédéric Brisach; Marc Henry Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks Journal of the American Chemical Society 123 (2001) 5612-5613
Space group: P -1
Cell volume: 1764.2
Cell parameters: 11.1076; 11.871; 14.655; 80.769; 70.036; 77.303;  

COD ID: 4115568
CIF file Formula: - C131 H162 Cl18 O49 Ti8 -
Comments: Adel Rammal; Frédéric Brisach; Marc Henry Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks Journal of the American Chemical Society 123 (2001) 5612-5613
Space group: P -1
Cell volume: 3995.1
Cell parameters: 12.8922; 14.1422; 22.8758; 81.271; 77.401; 81.55;  

COD ID: 4115569
CIF file Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1878.3
Cell parameters: 18.6794; 13.5313; 7.6028; 90; 102.196; 90;  

COD ID: 4115570
CIF file Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1876.3
Cell parameters: 18.6504; 13.4868; 7.6257; 90; 101.99; 90;  

COD ID: 4115571
CIF file Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1874.3
Cell parameters: 18.6277; 13.4777; 7.6305; 90; 101.927; 90;  

COD ID: 4115572
CIF file Formula: - C23 H31 B Cl2 N8 O Os -
Comments: Jake D. Soper; Werner Kaminsky; James M. Mayer Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center Journal of the American Chemical Society 123 (2001) 5594-5595
Space group: P 1 21/c 1
Cell volume: 2698.3
Cell parameters: 12.195; 22.04; 16.888; 90; 143.526; 90;  

COD ID: 4115573
CIF file Formula: - C21 H26 B Cl2 N9 Os -
Comments: Jake D. Soper; Werner Kaminsky; James M. Mayer Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center Journal of the American Chemical Society 123 (2001) 5594-5595
Space group: P 1 21/n 1
Cell volume: 2454.74
Cell parameters: 8.603; 27.533; 10.456; 90; 97.632; 90;  

COD ID: 4115574
CIF file Formula: - C18 H34 Cl2 Cu O9 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P -1
Cell volume: 1336.1
Cell parameters: 10.2133; 10.3016; 14.8454; 96.025; 99.522; 117.543;  

COD ID: 4115575
CIF file Formula: - C18 H36 Cl2 Cu O10 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P b c a
Cell volume: 2760
Cell parameters: 10.8358; 14.8072; 17.2021; 90; 90; 90;  

COD ID: 4115576
CIF file Formula: - C18 H36 Cl2 Cu O10 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P 1 21/n 1
Cell volume: 2786.3
Cell parameters: 20.0273; 6.996; 20.2965; 90; 101.536; 90;  

COD ID: 4115577
CIF file Formula: - C18 H32 Cl2 Cu O8 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P b c a
Cell volume: 5222.1
Cell parameters: 13.0498; 16.9827; 23.5634; 90; 90; 90;  

COD ID: 4115578
CIF file Formula: - C18 H34 Cl2 Cu O9 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P 1 21/n 1
Cell volume: 2751
Cell parameters: 11.537; 13.7475; 17.7187; 90; 101.785; 90;  

COD ID: 4115579
CIF file Formula: - C18 H32 Cl Cu O4 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P 1 21/n 1
Cell volume: 2325.2
Cell parameters: 10.916; 15.602; 13.66; 90; 91.87; 90;  

COD ID: 4115580
CIF file Formula: - Eu K Na2 O24 Si8 -
Comments: Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos Novel Microporous Europium and Terbium Silicates Journal of the American Chemical Society 123 (2001) 5735-5742
Space group: C 1 2/m 1
Cell volume: 2209.8
Cell parameters: 23.973; 14.04; 6.5655; 90; 90.352; 90;  

COD ID: 4115581
CIF file Formula: - K Na2 O24 Si8 Tb -
Comments: Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos Novel Microporous Europium and Terbium Silicates Journal of the American Chemical Society 123 (2001) 5735-5742
Space group: C 1 2/m 1
Cell volume: 2200.1
Cell parameters: 23.945; 14.019; 6.5542; 90; 90.288; 90;  

COD ID: 4115582
CIF file Formula: - C38.6 H56.2 N4 O8.4 -
Comments: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith Selective Recognition of an Alkali Halide Contact Ion-Pair Journal of the American Chemical Society 123 (2001) 5847-5848
Space group: P b c a
Cell volume: 7701
Cell parameters: 9.4344; 27.089; 30.133; 90; 90; 90;  

COD ID: 4115583
CIF file Formula: - C39.2 H52.4 Cl K N4 O6.6 -
Comments: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith Selective Recognition of an Alkali Halide Contact Ion-Pair Journal of the American Chemical Society 123 (2001) 5847-5848
Space group: P 1 21/c 1
Cell volume: 8019.3
Cell parameters: 22.6601; 13.1202; 27.7671; 90; 103.732; 90;  

COD ID: 4115584
CIF file Formula: - C38 H50 Cl N4 Na O6 -
Comments: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith Selective Recognition of an Alkali Halide Contact Ion-Pair Journal of the American Chemical Society 123 (2001) 5847-5848
Space group: P b c a
Cell volume: 7622.6
Cell parameters: 23.818; 11.9742; 26.727; 90; 90; 90;  

COD ID: 4115585
CIF file Formula: - C10 H4 F12 O8 Rh2 -
Comments: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina; Robert E. Taylor A Polymeric Chain in Which μ2,η2:η2-Ethene Symmetrically Bridges Tetra(trifluoroacetato) Dirhodium Molecules Journal of the American Chemical Society 123 (2001) 5831-5832
Space group: I 4/m
Cell volume: 958.31
Cell parameters: 11.5136; 11.5136; 7.2291; 90; 90; 90;  

COD ID: 4115586
CIF file Formula: - C25 H40 Fe N3 O6 -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: P -1
Cell volume: 5345.9
Cell parameters: 12.468; 17.667; 25.111; 79.81; 79.28; 89.99;  

COD ID: 4115587
CIF file Formula: - C26 H45 Co N3 O7.5 -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: C 1 2/c 1
Cell volume: 5779.2
Cell parameters: 49.743; 8.8465; 13.293; 90; 98.9; 90;  

COD ID: 4115588
CIF file Formula: - C17 H22 Fe N3 O4 S -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: P 1 21/n 1
Cell volume: 1770
Cell parameters: 7.3937; 13.8182; 17.329; 90; 91.293; 90;  

COD ID: 4115589
CIF file Formula: - C25 H40.33 Co N3 O5.17 S -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: P -3 c 1
Cell volume: 8760
Cell parameters: 27.694; 27.694; 13.188; 90; 90; 120;  

COD ID: 4115590
CIF file Formula: - C50 H44 N6 O2 -
Comments: Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Hirohisa Dejima; Hidenori Nakagawa; Yuichi Ishikawa NH Tautomerism of N-Confused Porphyrin Journal of the American Chemical Society 123 (2001) 6207-6208
Space group: P -1
Cell volume: 1982.1
Cell parameters: 13.178; 13.545; 12.6211; 116.169; 92.716; 98.691;  

COD ID: 4115591
CIF file Formula: - C45 H66.5 Cu5 La N12.5 O26 -
Comments: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions Journal of the American Chemical Society 123 (2001) 6211-6212
Space group: P 32 2 1
Cell volume: 9772.24
Cell parameters: 15.2671; 15.2671; 48.4117; 90; 90; 120;  

COD ID: 4115592
CIF file Formula: - C96 H163 Cu10 La2 N20 O79 -
Comments: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions Journal of the American Chemical Society 123 (2001) 6211-6212
Space group: P 1 21 1
Cell volume: 7752.9
Cell parameters: 14.6821; 38.1937; 15.6385; 90; 117.862; 90;  

COD ID: 4115593
CIF file Formula: - C107 H128 Cu10 Gd2 N20 O43 -
Comments: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions Journal of the American Chemical Society 123 (2001) 6211-6212
Space group: P 1 21 1
Cell volume: 7042
Cell parameters: 15.098; 28.257; 16.887; 90; 102.185; 90;  

COD ID: 4115594
CIF file Formula: - Cl F10 Sb -
Comments: Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid Journal of the American Chemical Society 123 (2001) 6338-6348
Space group: P b c m
Cell volume: 719.69
Cell parameters: 5.957; 15.17; 7.964; 90; 90; 90;  

COD ID: 4115595
CIF file Formula: - C26 H24 N2 O6 -
Comments: Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid Journal of the American Chemical Society 123 (2001) 6349-6352
Space group: P -1
Cell volume: 1169.5
Cell parameters: 9.507; 17.422; 7.591; 90.68; 105.79; 75.55;  

COD ID: 4115596
CIF file Formula: - C26 H24 N2 O6 -
Comments: Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid Journal of the American Chemical Society 123 (2001) 6349-6352
Space group: P -1
Cell volume: 1164.7
Cell parameters: 9.562; 17.401; 7.523; 90.82; 105.72; 75.51;  

COD ID: 4115597
CIF file Formula: - C42 H48 F Fe N5 O -
Comments: George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins Journal of the American Chemical Society 123 (2001) 6314-6326
Space group: P -1
Cell volume: 1742.8
Cell parameters: 10.487; 10.833; 15.804; 96.045; 97.114; 99.466;  

COD ID: 4115598
CIF file Formula: - C42 H48 F N5 O Ru -
Comments: George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins Journal of the American Chemical Society 123 (2001) 6314-6326
Space group: P -1
Cell volume: 1751.1
Cell parameters: 10.5223; 10.8549; 15.793; 96.051; 97.08; 99.464;  

COD ID: 4115599
CIF file Formula: - C42 H48 F N5 O Ru -
Comments: George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins Journal of the American Chemical Society 123 (2001) 6314-6326
Space group: P -1
Cell volume: 1796.2
Cell parameters: 10.6209; 10.9386; 15.9183; 95.705; 97.009; 99.61;  

COD ID: 4115600
CIF file Formula: - C25 H30 Cl2 Fe N6 O8 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P 1
Cell volume: 746.65
Cell parameters: 8.5581; 9.8036; 10.6673; 64.651; 68.683; 87.56;  

COD ID: 4115601
CIF file Formula: - C26 H31.5 Cl2 Fe N6.5 O8 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P -1
Cell volume: 1526.6
Cell parameters: 11.468; 11.835; 12.691; 74.252; 77.657; 68.165;  

COD ID: 4115602
CIF file Formula: - C24 H20 F6 Fe N4 O6 S2 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P 32
Cell volume: 2087.8
Cell parameters: 9.864; 9.864; 24.777; 90; 90; 120;  

COD ID: 4115603
CIF file Formula: - C26 H24 Cl2 Fe N4 O9 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P 1 21/n 1
Cell volume: 2732.2
Cell parameters: 10.0336; 16.0283; 17.3444; 90; 101.619; 90;  

COD ID: 4115604
CIF file Formula: - C61 H66 B2 F24 N6 O2 Pt Si -
Comments: Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton Five-Coordinate Trispyrazolylborate Dihydridosilyl Platinum(IV) Complexes Journal of the American Chemical Society 123 (2001) 6425-6426
Space group: P 1 21/c 1
Cell volume: 7001.1
Cell parameters: 12.4242; 22.4768; 25.1848; 90; 95.457; 90;  


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