Crystallography Open Database

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5000184 CIFC18 H12P 21 21 215.28; 12.972; 16.707
90; 90; 90
1144.3Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.
Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1:1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons
New Journal of Chemistry, 2001, 25, 1410-1417
7051011 CIFC44.5 H27 B4 Cl3 F24 O TaP 1 21/n 113.152; 18.72; 20.918
90; 99.4; 90
5081Sabo-Etienne, Sylviane; Rodriguez, Venancio; Donnadieu, Bruno; Chaudret, Bruno; Abou el Makarim, Hassna; Barthelat, Jean-Claude; Ulrich, Stefan; Limbach, Hans-Heinrich; Moïse, Claude
Synthesis, X-ray crystal structure, NMR characterization and theoretical calculations on [Cp2Ta(η2-H2)(CO)]+, the first thermally stable group 5 dihydrogen complex
New Journal of Chemistry, 2001, 25, 55
7051012 CIFC58 H49 F6 N P3 RhP -110.844; 20.697; 22.722
91.629; 91.462; 101.89
4985.7Deblon, Stephan; Rüegger, Heinz; Schönberg, Hartmut; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg
Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes: synthesis, reactivity, and structures in solution and solid state
New Journal of Chemistry, 2001, 25, 83
7051013 CIFC56.5 H45.5 Cl1.5 P2 RhC 1 2/c 145.899; 10.159; 19.773
90; 102.27; 90
9009Deblon, Stephan; Rüegger, Heinz; Schönberg, Hartmut; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg
Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes: synthesis, reactivity, and structures in solution and solid state
New Journal of Chemistry, 2001, 25, 83
7051014 CIFC32 H30 N2 O2 P2 PdP 1 21/n 117.293; 9.7528; 17.6784
90; 115.284; 90
2695.9Pierre Braunstein; Frédéric Naud; Steven J. Rettig
A new class of anionic phosphinooxazoline ligands in palladium and ruthenium complexes: catalytic properties for the transfer hydrogenation of acetophenone
New J. Chem., 2001, 25, 32-39
7051015 CIFC29 H34 B N OP 1 21/c 19.743; 13.474; 18.902
90; 107.08; 90
2372Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan
Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts
New Journal of Chemistry, 2001, 25, 174
7051016 CIFC30 H40 B N O5P -111.2759; 11.6163; 13.0526
69.066; 70.612; 61.747
1378.77Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan
Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts
New Journal of Chemistry, 2001, 25, 174
7051017 CIFC30 H36 B N O3C 1 2/c 133.832; 10.11; 17.45
90; 117.75; 90
5282Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan
Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts
New Journal of Chemistry, 2001, 25, 174
7051018 CIFC15 H15.668 Fe N O5.334P 1 21 17.455; 10.0294; 10.568
90; 109.2; 90
746.2Baker, Murray V.; Kraatz, Heinz-Bernhard; Wilson Quail, J.
Solvent effects on the redox properties of ferrocenoyl-dipeptides
New Journal of Chemistry, 2001, 25, 427
7051019 CIFCl9 H4 K O2 Re6 Se5R -3 :R8.892; 8.892; 8.892
65.63; 65.63; 65.63
557.92Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin
Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]
New J. Chem., 2001, 25, 737-740
7051020 CIFC16 H36 Cl9 N Re6 Se5P -110.775; 17.101; 10.602
100.83; 99.62; 87.51
1891.6Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin
Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]
New J. Chem., 2001, 25, 737-740
7051021 CIFC32 H72 Cl8 N2 Re6 Se6P 1 21/n 112.833; 11.588; 18.563
90; 90.04; 90
2760.5Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin
Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]
New J. Chem., 2001, 25, 737-740
7051022 CIFC13 H20 O6P 21 21 218.4308; 10.5457; 15.6538
90; 90; 90
1391.76Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.
Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene
New Journal of Chemistry, 2001, 25, 3
7051023 CIFC13 H22 O6P 21 21 216.9393; 10.5584; 19.7333
90; 90; 90
1445.82Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.
Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene
New Journal of Chemistry, 2001, 25, 3
7051024 CIFC13 H20 O6P 21 21 216.5102; 8.9104; 23.7859
90; 90; 90
1379.78Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.
Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene
New Journal of Chemistry, 2001, 25, 3
7051025 CIFC48 H46 N8 O4 ZnP -19.612; 15.884; 15.884
105.35; 92.65; 92.65
2332Che, Chi-Ming; Wan, Chun-Wai; Ho, Kin-Ying; Zhou, Zhong-Yun
Strongly luminescent metal‒organic compounds: spectroscopic properties and crystal structure of substituted 1,8-naphthyridine and its zinc(II) complex
New Journal of Chemistry, 2001, 25, 63
7051026 CIFC26 H30 N2 OP b c 216.632; 19.859; 34.049
90; 90; 90
4484.4José Barluenga; Miguel Tomás; Alfredo Ballesteros; Javier Santamaría; Raúl Corzo-Suárez; Santiago García-Granda
Reaction of Fischer alkynylcarbene complexes with 1-azadiene derivatives: unexpected formation of 3,4-dihydropyridines
New J. Chem., 2001, 25, 8-10
7051027 CIFC15 H17 N3 O2P 21 21 216.486; 12.445; 18.327
90; 90; 90
1479.3Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero
Structure of chiral pyrazoles in the solid state and in solution
New J. Chem., 2001, 25, 329-335
7051028 CIFC21 H21 N3 O2P 21 21 216.601; 14.743; 18.895
90; 90; 90
1839Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero
Structure of chiral pyrazoles in the solid state and in solution
New J. Chem., 2001, 25, 329-335
7051029 CIFC14 H21 N3 O2 SP 1 21 19.309; 12.306; 13.322
90; 104.8; 90
1475.5Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero
Structure of chiral pyrazoles in the solid state and in solution
New J. Chem., 2001, 25, 329-335
7051030 CIFC30 H29 Cl4 N O3 P PdP 1 21/c 116.795; 12.09; 17.268
90; 116.549; 90
3136.6Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia
Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH
New J. Chem., 2001, 25, 344-352
7051031 CIFC29 H29 Cl N O7 P PdP n a 2123.732; 8.039; 14.922
90; 90; 90
2846.8Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia
Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH
New J. Chem., 2001, 25, 344-352
7051032 CIFC13 H26 Cl O3 PP 1 21/c 116.504; 7.561; 12.142
90; 92.54; 90
1513.7Berrigan, Rebecca A.; Russell, Douglas K.; Henderson, William; Leach, Meto T.; Nicholson, Brian K.; Woodward, Gary; Harris, Christopher
Camphene-derived primary and hydroxymethyl phosphines
New Journal of Chemistry, 2001, 25, 322
7051033 CIFC22 H30 F8 Ni P2P -111.344; 12.614; 9.846
112.43; 96.62; 98.5
1265Braun, Thomas; Cronin, Leroy; Higgitt, Catherine L.; McGrady, John E.; Perutz, Robin N.; Reinhold, Meike
Coordination and oxidative addition of octafluoronaphthalene at a nickel centre: isolation of an intermediate in C‒F bond activation
New Journal of Chemistry, 2001, 25, 19
7051035 CIFC56 H94 N4 O11 W2P 1 21/n 120.712; 14.805; 21.362
90; 111.5; 90
6095Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.
Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands
New Journal of Chemistry, 2001, 25, 353
7051036 CIFC42 H42 N4 O6 WP 1 21/c 113.467; 24.756; 11.723
90; 100.04; 90
3848.5Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.
Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands
New Journal of Chemistry, 2001, 25, 353
7051037 CIFC53.5 H63.5 N2.5 O4.5 WP 1 21/n 117.66; 16.118; 19.974
90; 106.76; 90
5444Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.
Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands
New Journal of Chemistry, 2001, 25, 353
7051038 CIFC30 H68 Fe N18 Ni2 O8C 1 2/c 124.684; 15.202; 25.368
90; 97.78; 90
9432Lu, Tongbu; Xiang, Hua; Su, Chengyong; Cheng, Peng; Mao, Zongwan; Ji, Liangnian
[NiL]2[Fe(CN)6]·4H2O [L = 3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]: a novel three-dimensional iron(II)‒nickel(II) cyanide-bridged bimetallic assembly with a vat-like structure
New Journal of Chemistry, 2001, 25, 216
7051039 CIFC45 H40 Cl Cu N2 O4 P2C 1 2/c 139.72; 10.198; 24.59
90; 123.777; 90
8279Hati, Sanchita; Patra, Goutam K.; Naskar, Jnan P.; Drew, Michael G. B.; Datta, Dipankar
First structurally characterised metal complex of a 2H-benzimidazole derivative. Copper mediated synthesis of 2,2-dimethyl-2H-benzimidazole from 1,2-phenylenediamine and acetone
New Journal of Chemistry, 2001, 25, 218
7051040 CIFC18 H15 Fe N O2P 1 21/c 118.0285; 10.6208; 7.7084
90; 98.223; 90
1460.81Jose A. Mata; Eduardo Peris; Inge Asselberghs; Roel Van Boxel; André Persoons
Syntheses, characterization and second-order nonlinear optical behavior of new ferrocenyl-terminated phenylethenyl oligomers with a pendant nitro group
New J. Chem., 2001, 25, 299-304
7051041 CIFC114 H90 Cl4 N8 Ni2 O4P -116.1351; 16.3746; 19.6653
109.763; 93.411; 90.83
4877.7François Jérôme; Jean-Michel Barbe; Claude P. Gros; Roger Guilard; Jean Fischer; Raymond Weiss
Peculiar reactivity of face to face biscorrole and porphyrin‒corrole with a nickel(II) salt. X-Ray structural characterization of a new nickel(II) bisoxocorrole
New J. Chem., 2001, 25, 93-101
7051042 CIFC60 H68 I2 N4 O11P -18.8875; 11.9248; 26.99
91.405; 94.482; 99.522
2810.4Lacroix, Pascal G.; Lepetit, Christine; Claude Daran, Jean
Switching nonlinear optical properties by proton transfer in hydrogen-bonded merocyanine dyes: a theoretical investigation at the semi-empirical level
New Journal of Chemistry, 2001, 25, 451
7051043 CIFC52 H42 B4 F16 N10 RuP -113.1025; 13.5227; 16.4607
94.579; 102.822; 105.621
2708.33Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.
Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects
New Journal of Chemistry, 2001, 25, 458
7051044 CIFC32 H26 F12 N6 P2P 1 21/n 16.3652; 35.256; 7.6591
90; 108.033; 90
1634.4Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.
Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects
New Journal of Chemistry, 2001, 25, 458
7051045 CIFC16 H40 N6 Ni O4P -17.4721; 7.531; 11.0761
93.4149; 102.042; 100.486
596.29Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu
First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers
New Journal of Chemistry, 2001, 25, 764
7051046 CIFC16 H40 N6 Ni O4P 1 21/c 110.283; 19.467; 12.124
90; 95.4; 90
2416.2Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu
First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers
New Journal of Chemistry, 2001, 25, 764
7051047 CIFC16 H40 N6 Ni O4P 1 21/c 110.3131; 19.2548; 12.0523
90; 96.47; 90
2378.1Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu
First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers
New Journal of Chemistry, 2001, 25, 764
7051049 CIFC60 H60 N4P -4 21 c15.669; 15.669; 11.4392
90; 90; 90
2808.5Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian
Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations
New J. Chem., 2001, 25, 207-209
7051050 CIFC36 H44 Ag Cl2 F6 N2 O5 PI 41/a c d :224.4478; 24.4478; 68.74
90; 90; 90
41085.5Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian
Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations
New J. Chem., 2001, 25, 207-209
7051057 CIFC31 H41.5 Ag3 Cl3 N8.5 O12P -113.612; 15.789; 10.172
100.5; 102.23; 97.16
2070.2Fei, Bao-Li; Sun, Wei-Yin; Okamura, Taka-aki; Tang, Wen-Xia; Ueyama, Norikazu
Synthesis and crystal structure of a luminescent infinite 2D brick-wall network with two- and three-coordinate silver(I) atoms and ligand-unsupported silver‒silver interactions
New Journal of Chemistry, 2001, 25, 210
7051058 CIFC36 H29 Cl2 N7 O10 RuP -18.7139; 12.6362; 16.8896
81.778; 80.395; 78.851
1787.22Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.
New hybrid ditopic ligands containing fused phenanthroline and crown ether units
New Journal of Chemistry, 2001, 25, 185
7051059 CIFC46 H46 Cl2 N10 O12 RuP -111.83; 13.271; 17.791
97.664; 92.213; 115.897
2475.4Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.
New hybrid ditopic ligands containing fused phenanthroline and crown ether units
New Journal of Chemistry, 2001, 25, 185
7051060 CIFC44 H45 Cl2 F0 N7 Na0 O14 P0 RuP 1 21 112.748; 13.181; 13.847
90; 107.04; 90
2224.6Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.
New hybrid ditopic ligands containing fused phenanthroline and crown ether units
New Journal of Chemistry, 2001, 25, 185
7051061 CIFC48 H50 Cl3 Li N10 O17 RuP -112.485; 13.085; 17.988
71.249; 76.915; 82.05
2703.6Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.
New hybrid ditopic ligands containing fused phenanthroline and crown ether units
New Journal of Chemistry, 2001, 25, 185
7051064 CIFC36 H30 Au2 P2 Se4 WP -19.593; 10.825; 19.936
89.54; 80.41; 68.45
1895.4Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan
Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals
New Journal of Chemistry, 2001, 25, 465
7051065 CIFC54.5 H45 Ag2 Cl P3 Se4 WP 1 21/a 117.921; 17.472; 18.196
90; 95.86; 90
5668Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan
Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals
New Journal of Chemistry, 2001, 25, 465
7051066 CIFC16 H51 N4 O24 P5 Zn4P -112.183; 12.955; 14.3375
85.988; 89.019; 68.267
2096.81Ayi, Ayi A.; Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.
Cyclic acetate dimers formed by C‒H···O hydrogen bonds in an open-framework zinc phosphate-acetate
New Journal of Chemistry, 2001, 25, 213
7051067 CIFC18 H16 Cl N2 PP 1 21/c 113.334; 5.8545; 21.617
90; 90.761; 90
1687.3Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.
Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies
New Journal of Chemistry, 2001, 25, 416-422
7051068 CIFC18 H16 Au Cl2 N2 PP -19.849; 11.647; 9.054
109.31; 95.75; 102.41
940.6Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.
Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies
New Journal of Chemistry, 2001, 25, 416-422
7051069 CIFC30 H28 Cl2 N3 P PdP 1 21/c 111.944; 14.623; 16.14
90; 91.36; 90
2818.1Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.
Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies
New Journal of Chemistry, 2001, 25, 416-422

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