Crystallography Open Database

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7050000 CIFC8 H11 N8 Ni2 OP 1 21/n 19.121; 11.469; 13.561
90; 104.623; 90
1372.6Colacio, Enrique; Lloret, Francesc; Navarrete, Miguel; Romerosa, Antonio; Stoeckli-Evans, Helen; Suarez-Varela, José
2D and 3D coordination polymers based on 2,2′-bipyrimidine and cyanide bridging ligands incorporating coordinated and guest ammonia molecules. Synthesis, crystal structures, magnetic properties and thermal analysis of {[Ni(CN)4]2[(Ni(NH3)2)2(bpym)]·2H2O}n and {[Cu2(CN)2(bpym)]·NH3}n
New Journal of Chemistry, 2005, 29, 1189
7050001 CIFC10 H9 Cu2 N7C 1 2/c 15.8736; 17.266; 12.983
90; 93.4; 90
1314.3Colacio, Enrique; Lloret, Francesc; Navarrete, Miguel; Romerosa, Antonio; Stoeckli-Evans, Helen; Suarez-Varela, José
2D and 3D coordination polymers based on 2,2′-bipyrimidine and cyanide bridging ligands incorporating coordinated and guest ammonia molecules. Synthesis, crystal structures, magnetic properties and thermal analysis of {[Ni(CN)4]2[(Ni(NH3)2)2(bpym)]·2H2O}n and {[Cu2(CN)2(bpym)]·NH3}n
New Journal of Chemistry, 2005, 29, 1189
7050002 CIFC15 H11 N O2 S6P -18.406; 10.5093; 11.5318
64.758; 86.923; 72.444
875.22Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi
Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]
New Journal of Chemistry, 2005, 29, 1135
7050003 CIFC40 H24 Cu F12 N2 O8 S12P -17.1085; 11.121; 16.3628
91.682; 91.014; 93.547
1290.26Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi
Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]
New Journal of Chemistry, 2005, 29, 1135
7050004 CIFC40 H24 F12 Mn N2 O8 S12P -17.1013; 11.1105; 16.346
91.662; 91.036; 93.65
1286.3Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi
Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]
New Journal of Chemistry, 2005, 29, 1135
7050005 CIFC25 H13 Cu F12 N O6 S6P -19.2937; 15.1897; 24.3174
92.461; 93.048; 105.491
3297.64Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi
Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]
New Journal of Chemistry, 2005, 29, 1135
7050006 CIFC34 H34 B F2 N3 O2P -17.266; 12.168; 17.628
100.33; 90.79; 104.64
1480.6Rostron, James P.; Ulrich, Gilles; Retailleau, Pascal; Harriman, Anthony; Ziessel, Raymond
Engineering of an electronically decoupled difluoroindacene-pyrene dyad possessing high affinity for DNA
New Journal of Chemistry, 2005, 29, 1241
7050007 CIFC19 H17 N O2P 1 21/c 110.5232; 7.5048; 20.2461
90; 102.02; 90
1563.9John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea
A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors
New Journal of Chemistry, 2005, 29, 1258
7050008 CIFC21 H22 N2 O2P -19.8173; 13.3363; 15.9016
67.237; 80.48; 72.421
1827.3John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea
A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors
New Journal of Chemistry, 2005, 29, 1258
7050009 CIFC23 H26 N2 O2P -17.861; 9.401; 14.244
83.46; 81.78; 79.74
1020.9John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea
A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors
New Journal of Chemistry, 2005, 29, 1258
7050010 CIFC23 H26 N2 O2P -17.6973; 9.3729; 14.0807
83.347; 82.391; 79.132
984.54John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea
A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors
New Journal of Chemistry, 2005, 29, 1258
7050011 CIFC36 H60 N8 O8P b c n12.997; 18.486; 16.127
90; 90; 90
3874.71Meyer, Michel; Frémond, Laurent; Espinosa, Enrique; Brandès, Stéphane; Yves Vollmer, Guy; Guilard, Roger
Synthesis, characterization and X-ray crystal structures of cyclam derivatives. 7. Hydrogen-bond induced allosteric effects and protonation cooperativity in a macrotricyclic bisdioxocyclam receptor
New Journal of Chemistry, 2005, 29, 1121
7050012 CIFC16 H22 Br2 N4 O4 ZnP n n a7.5852; 12.1545; 22.829
90; 90; 90
2104.7Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming
Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide
New Journal of Chemistry, 2005, 29, 1254
7050013 CIFC16 H22 Cl2 N4 O4 ZnP n n a7.4152; 11.8222; 22.7057
90; 90; 90
1990.47Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming
Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide
New Journal of Chemistry, 2005, 29, 1254
7050014 CIFC32 H32 I4 N8 O6 Zn2P -18.2323; 10.9481; 12.0332
105.908; 96.5427; 102.907
998.74Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming
Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide
New Journal of Chemistry, 2005, 29, 1254
7050015 CIFC11.5 H7 F3 N2 SP b c n10.902; 12.36; 17.546
90; 90; 90
2364.3Marion Giraud; Anne Léaustic; Marie-France Charlot; Pei Yu; Michèle Césario; Christian Philouze; Robert Pansu; Keitaro Nakatani; Eléna Ishow
Synthesis and photochromism of two new 1,2-bis(thiazolyl)perfluorocyclopentenes with chelating sites
New Journal of Chemistry, 2005, 29, 439
7050016 CIFC23 H14 F6 N4 S2P 1 21/n 116.492; 8.379; 16.79
90; 93.52; 90
2315.8Marion Giraud; Anne Léaustic; Marie-France Charlot; Pei Yu; Michèle Césario; Christian Philouze; Robert Pansu; Keitaro Nakatani; Eléna Ishow
Synthesis and photochromism of two new 1,2-bis(thiazolyl)perfluorocyclopentenes with chelating sites
New Journal of Chemistry, 2005, 29, 439
7050018 CIFC26 H25 N3 O2P n a 2113.405; 10.911; 14.405
90; 90; 90
2106.9Ooyama, Yousuke; Nakamura, Takato; Yoshida, Katsuhira
Heterocyclic quinol-type fluorophores. Synthesis of novel imidazoanthraquinol derivatives and their photophysical properties in benzene and in the crystalline state
New Journal of Chemistry, 2005, 29, 447
7050019 CIFC30 H33 N3 O2P 1 21/c 116.13; 8.793; 18.26
90; 96.12; 90
2575.1Ooyama, Yousuke; Nakamura, Takato; Yoshida, Katsuhira
Heterocyclic quinol-type fluorophores. Synthesis of novel imidazoanthraquinol derivatives and their photophysical properties in benzene and in the crystalline state
New Journal of Chemistry, 2005, 29, 447
7050020 CIFC28 H26 Br30 Mn6 O27P -113.8846; 14.8256; 21.8859
102.61; 92.898; 113.902
3970.4Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier
Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets
New Journal of Chemistry, 2005, 29, 499
7050021 CIFC17 H20 Cl18 Mn3 O17P -110.6317; 13.5792; 17.0719
78.218; 76.225; 78.187
2311.5Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier
Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets
New Journal of Chemistry, 2005, 29, 499
7050022 CIFC32 H15 F48 Mn12 O49.5P -115.789; 19.5781; 20.064
95.61; 105.667; 106.933
5607.1Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier
Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets
New Journal of Chemistry, 2005, 29, 499
7050023 CIFC26 H43 N O4 S6P -111.239; 12.38; 13.299
74.38; 77.53; 66.05
1616.6Lin, Hai-Hong; Yan, Zhe-Min; Dai, Jie; Zhang, De-Qing; Zuo, Jing-Lin; Zhu, Qin-Yu; Jia, Ding-Xian
A water-soluble derivative of tetrathiafulvalene exhibiting pH sensitive redox properties
New Journal of Chemistry, 2005, 29, 509
7050026 CIFC30 H35 N3 O3P 1 21/c 113.277; 11.943; 17.664
90; 108.36; 90
2658.4Ooyama, Yousuke; Yoshida, Katsuhira
Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules
New Journal of Chemistry, 2005, 29, 1204
7050027 CIFC28 H29 N3 O3P -19.25; 16.607; 8.1
96.08; 97.9; 96.25
1215.9Ooyama, Yousuke; Yoshida, Katsuhira
Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules
New Journal of Chemistry, 2005, 29, 1204
7050028 CIFC34 H45 N3 O4P 1 21/n 19.62; 23.485; 15.297
90; 107.87; 90
3289.3Ooyama, Yousuke; Yoshida, Katsuhira
Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules
New Journal of Chemistry, 2005, 29, 1204
7050029 CIFC28 H31 N3 O3P 1 21/n 17.957; 20.75; 14.977
90; 96.81; 90
2455.4Ooyama, Yousuke; Yoshida, Katsuhira
Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules
New Journal of Chemistry, 2005, 29, 1204
7050030 CIFC28 H30 N3 O2.5P n a 2116.57; 12.047; 24.125
90; 90; 90
4816Ooyama, Yousuke; Yoshida, Katsuhira
Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules
New Journal of Chemistry, 2005, 29, 1204
7050031 CIFC2 H6 N Ni O5 PP n a 219.5378; 12.572; 5.183
90; 90; 90
621.49Modi, Rakesh; Hix, Gary B.; Tremayne, Maryjane; MacLean, Elizabeth
Polymorphism in nickel phosphonates: synthesis of layered and microporous Ni(O3PCH2C(O)NH2)�H2O
New Journal of Chemistry, 2005, 29, 427
7050032 CIFC14 H14 Cl I SP 1 21 16.956; 5.6659; 18.636
90; 98.9; 90
725.6Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P.
A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl)
New Journal of Chemistry, 2005, 29, 315
7050033 CIFC14 H14 Br I SP 1 21 17.1678; 5.7376; 18.5292
90; 100.495; 90
749.28Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P.
A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl)
New Journal of Chemistry, 2005, 29, 315
7050034 CIFC40 H62 Cu2 N12 O27F d d 214.3905; 42.019; 42.158
90; 90; 90
25492Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.
A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer
New Journal of Chemistry, 2005, 29, 434
7050035 CIFC10 H8 Cu N4 O6P 43 21 27.8122; 7.8122; 20.232
90; 90; 90
1234.8Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.
A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer
New Journal of Chemistry, 2005, 29, 434
7050036 CIFC28 H26 Br2 N Ni PP 1 21/n 111.576; 23.162; 11.171
90; 117.85; 90
2648.3Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees
New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr
New Journal of Chemistry, 2005, 29, 385
7050037 CIFC41.24 H39.47 Br2 Cl2.47 N Ni O P2P c a b13.535; 23.464; 27.85
90; 90; 90
8844.7Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees
New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr
New Journal of Chemistry, 2005, 29, 385
7050038 CIFC32 H34 Br2 N P PdP 21 c n9.9766; 13.5588; 21.8426
90; 90; 90
2954.66Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees
New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr
New Journal of Chemistry, 2005, 29, 385
7050039 CIFC28 H26 I2 N P PdP 1 21 110.4664; 16.3356; 16.3526
90; 99.3449; 90
2758.78Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees
New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr
New Journal of Chemistry, 2005, 29, 385
7050040 CIFC30 H31 N P PtC 1 2/c 139.359; 9.388; 14.772
90; 107.83; 90
5196.1Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees
New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr
New Journal of Chemistry, 2005, 29, 385
7050042 CIFC29 H11 Cl3 F20 O P2 ReI 41/a :226.7896; 26.7896; 22.2608
90; 90; 90
15976.2Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.
Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands
New Journal of Chemistry, 2005, 29, 613
7050043 CIFC39 H32 Cl3 O2 P2 ReP b c a17.2122; 14.1969; 28.0146
90; 90; 90
6845.64Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.
Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands
New Journal of Chemistry, 2005, 29, 613
7050044 CIFC20 H36 F18 N2 S6 TiP -18.173; 10.794; 10.913
69.848; 85.759; 82.043
894.7Carmalt, Claire J.; Peters, Emily S.; Parkin, Ivan P.; Tocher, Derek A.
Reactivity of tetrakisdimethylamido-titanium(iv) and -zirconium(iv) with thiols
New Journal of Chemistry, 2005, 29, 620
7050045 CIFC40 H93 Cl4 N S9 Zr2P 1 21/c 111.8588; 18.7448; 27.2112
90; 94.271; 90
6032Carmalt, Claire J.; Peters, Emily S.; Parkin, Ivan P.; Tocher, Derek A.
Reactivity of tetrakisdimethylamido-titanium(iv) and -zirconium(iv) with thiols
New Journal of Chemistry, 2005, 29, 620
7050046 CIFC38 H34 N4 O4 ZnC 2 2 2110.2844; 16.5841; 75.389
90; 90; 90
12858.2Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.
The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates
New Journal of Chemistry, 2005, 29, 263
7050047 CIFC38 H34 N4 O4 ZnP 1 21/c 117.205; 10.733; 18.407
90; 105.98; 90
3267.7Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.
The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates
New Journal of Chemistry, 2005, 29, 263
7050048 CIFC46 H39 N5 O4 ZnP 110.7889; 10.8866; 17.2241
73.146; 88.623; 86.943
1933.32Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.
The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates
New Journal of Chemistry, 2005, 29, 263
7050049 CIFC141.5 H183.5 N7.5 O14 UP -116.0169; 16.2046; 27.024
96.325; 96.207; 108.071
6551.9Bernardo Masci; Pierre Thuéry
Synthesis of homooxacalixarenes with 5 and 10 phenol units and crystal structure of their complexes with uranyl ions
New Journal of Chemistry, 2005, 29, 493
7050050 CIFC178 H244 N20 O28 U4P -113.45; 19.1428; 20.2899
117.13; 102.485; 96.117
4411Bernardo Masci; Pierre Thuéry
Synthesis of homooxacalixarenes with 5 and 10 phenol units and crystal structure of their complexes with uranyl ions
New Journal of Chemistry, 2005, 29, 493
7050051 CIFC36 H18 Ag B F24 N2P -112.6083; 12.8156; 13.7369
75.0063; 76.7008; 64.5828
1918.45Yanmei Zhang; Ana M. Santos; Eberhardt Herdtweck; Janos Mink; Fritz E. Kühn
Organonitrile ligated silver complexes with perfluorinated weakly coordinating anions and their catalytic application for coupling reactions
New Journal of Chemistry, 2005, 29, 366
7050052 CIFC14 H14 N6 OC 1 c 113.2954; 12.4529; 8.5445
90; 97.917; 90
1401.2Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith
Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands
New Journal of Chemistry, 2005, 29, 1035
7050053 CIFC30 H29 I N12 O2P -18.7819; 12.1248; 15.3073
96.84; 99.563; 105.995
1521.48Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith
Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands
New Journal of Chemistry, 2005, 29, 1035

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