Crystallography Open Database

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4319024 CIFC65 H125 Al3 N3 O12 P3 Si7P -114.377; 21.051; 28.948
96.93; 96.52; 90.28
8639Jiri Pinkas; Jiri Löbl; Dalibor Dastych; Marek Necas; Herbert W. Roesky
Adamantane-like Aluminum Amide-Phosphate from Alumazene
Inorganic Chemistry, 2002, 41, 6914-6918
4319025 CIFC24 H24 B F4 Fe4P b c n11.975; 16.442; 11.655
90; 90; 90
2295Masaaki Okazaki; Takeo Ohtani; Masato Takano; Hiroshi Ogino
Synthesis and Structures of One- and Two-Electron Oxidized Forms of Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,η5-C5H4Me)
Inorganic Chemistry, 2002, 41, 6726-6730
4319026 CIFC28 H32 B2 F8 Fe4P b c a18.678; 17.604; 17.072
90; 90; 90
5613.4Masaaki Okazaki; Takeo Ohtani; Masato Takano; Hiroshi Ogino
Synthesis and Structures of One- and Two-Electron Oxidized Forms of Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,η5-C5H4Me)
Inorganic Chemistry, 2002, 41, 6726-6730
4319027 CIFC36 H67 Cd2 Cl2 N7 O10 S4P 1 21/c 111.4211; 44.9639; 20.3932
90; 101.564; 90
10260.1Russell A. Allred; Lenore H. McAlexander; Atta M. Arif; Lisa M. Berreau
Chemistry of a Binuclear Cadmium(II) Hydroxide Complex: Formation from Water, CO2 Reactivity, and Comparison to a Zinc Analog
Inorganic Chemistry, 2002, 41, 6790-6801
4319028 CIFC17 H31 Cd Cl2 N3 O8 S2P 1 21/a 115.1058; 9.9859; 18.2415
90; 109.724; 90
2590.2Russell A. Allred; Lenore H. McAlexander; Atta M. Arif; Lisa M. Berreau
Chemistry of a Binuclear Cadmium(II) Hydroxide Complex: Formation from Water, CO2 Reactivity, and Comparison to a Zinc Analog
Inorganic Chemistry, 2002, 41, 6790-6801
4319029 CIFC38 H68 Cd2 Cl4 N8 O8 S4C 1 2/c 124.6181; 24.2867; 19.3653
90; 102.159; 90
11318.6Russell A. Allred; Lenore H. McAlexander; Atta M. Arif; Lisa M. Berreau
Chemistry of a Binuclear Cadmium(II) Hydroxide Complex: Formation from Water, CO2 Reactivity, and Comparison to a Zinc Analog
Inorganic Chemistry, 2002, 41, 6790-6801
4319030 CIFC37 H65 Cd2 Cl2 N7 O11 S4P -19.1633; 15.1298; 18.9463
99.5466; 93.106; 93.443
2580.15Russell A. Allred; Lenore H. McAlexander; Atta M. Arif; Lisa M. Berreau
Chemistry of a Binuclear Cadmium(II) Hydroxide Complex: Formation from Water, CO2 Reactivity, and Comparison to a Zinc Analog
Inorganic Chemistry, 2002, 41, 6790-6801
4319031 CIFC39 H70 Cl2 N6 O11 S4 Zn2P 1 21/c 111.7254; 34.9029; 13.6584
90; 109.482; 90
5269.66Russell A. Allred; Lenore H. McAlexander; Atta M. Arif; Lisa M. Berreau
Chemistry of a Binuclear Cadmium(II) Hydroxide Complex: Formation from Water, CO2 Reactivity, and Comparison to a Zinc Analog
Inorganic Chemistry, 2002, 41, 6790-6801
4319032 CIFC11 H16 Fe2 N O4 P S2P 1 21/c 114.126; 9.143; 13.749
90; 105.027; 90
1715Frédéric Gloaguen; Joshua D. Lawrence; Thomas B. Rauchfuss; Marc Bénard; Marie-Madeleine Rohmer
Bimetallic Carbonyl Thiolates as Functional Models for Fe-Only Hydrogenases
Inorganic Chemistry, 2002, 41, 6573-6582
4319033 CIFC6 H8 Ag Cu2 N6P 1 21/n 18.0393; 12.7741; 11.0643
90; 94.264; 90
1133.1Carolyn J. Shorrock; Bao-Yu Xue; Peter B. Kim; Raymond J. Batchelor; Brian O. Patrick; Daniel B. Leznoff
Heterobimetallic Coordination Polymers Incorporating [M(CN)2]- (M = Cu, Ag) and [Ag2(CN)3]- Units: Increasing Structural Dimensionality via M-M' and M...NC Interactions
Inorganic Chemistry, 2002, 41, 6743-6753
4319034 CIFC9 H16 Ag3 Cu N9P -16.6945; 8.2741; 9.0411
69.739; 89.622; 70.226
438.63Carolyn J. Shorrock; Bao-Yu Xue; Peter B. Kim; Raymond J. Batchelor; Brian O. Patrick; Daniel B. Leznoff
Heterobimetallic Coordination Polymers Incorporating [M(CN)2]- (M = Cu, Ag) and [Ag2(CN)3]- Units: Increasing Structural Dimensionality via M-M' and M...NC Interactions
Inorganic Chemistry, 2002, 41, 6743-6753
4319035 CIFC17 H26 Ag5 Cu2 N15P 1 21/n 16.9921; 17.6629; 12.5504
90; 90.714; 90
1549.9Carolyn J. Shorrock; Bao-Yu Xue; Peter B. Kim; Raymond J. Batchelor; Brian O. Patrick; Daniel B. Leznoff
Heterobimetallic Coordination Polymers Incorporating [M(CN)2]- (M = Cu, Ag) and [Ag2(CN)3]- Units: Increasing Structural Dimensionality via M-M' and M...NC Interactions
Inorganic Chemistry, 2002, 41, 6743-6753
4319036 CIFC10 H18 Ag2 N8 NiP 1 21/n 17.9841; 16.4951; 13.9185
90; 104.106; 90
1777.8Carolyn J. Shorrock; Bao-Yu Xue; Peter B. Kim; Raymond J. Batchelor; Brian O. Patrick; Daniel B. Leznoff
Heterobimetallic Coordination Polymers Incorporating [M(CN)2]- (M = Cu, Ag) and [Ag2(CN)3]- Units: Increasing Structural Dimensionality via M-M' and M...NC Interactions
Inorganic Chemistry, 2002, 41, 6743-6753
4319037 CIFC27 H26 Cu I P2P -19.9164; 10.5308; 12.7852
74.905; 75.826; 82.5563
1246.73Paraskevas Aslanidis; Philip J. Cox; Savvas Divanidis; Athanassios C. Tsipis
Copper(I) Halide Complexes with 1,3-Propanebis(diphenylphosphine) and Heterocyclic Thione Ligands: Crystal and Electronic Structures (DFT) of [CuCl(pymtH)(dppp)], [CuBr(pymtH)(dppp)], and [Cu(μ-I)(dppp)]2
Inorganic Chemistry, 2002, 41, 6875-6886
4319038 CIFC31 H30 Cl Cu N2 P2 SP -19.8614; 10.0907; 16.1331
76.527; 85.394; 67.34
1440.61Paraskevas Aslanidis; Philip J. Cox; Savvas Divanidis; Athanassios C. Tsipis
Copper(I) Halide Complexes with 1,3-Propanebis(diphenylphosphine) and Heterocyclic Thione Ligands: Crystal and Electronic Structures (DFT) of [CuCl(pymtH)(dppp)], [CuBr(pymtH)(dppp)], and [Cu(μ-I)(dppp)]2
Inorganic Chemistry, 2002, 41, 6875-6886
4319039 CIFC31 H30 Br Cu N2 P2 SP -19.9021; 10.0952; 16.221
76.8225; 85.0994; 67.3809
1457.37Paraskevas Aslanidis; Philip J. Cox; Savvas Divanidis; Athanassios C. Tsipis
Copper(I) Halide Complexes with 1,3-Propanebis(diphenylphosphine) and Heterocyclic Thione Ligands: Crystal and Electronic Structures (DFT) of [CuCl(pymtH)(dppp)], [CuBr(pymtH)(dppp)], and [Cu(μ-I)(dppp)]2
Inorganic Chemistry, 2002, 41, 6875-6886
4319040 CIFC24 H30 N3 P3P 1 21/n 114.273; 9.37; 19.6
90; 107.16; 90
2504.6June-Ho Jung; Hongming Zhang; Patty Wisian-Neilson
Deprotonation-Substitution Reactions of Cyclic Methylphenylphosphazenes: Synthesis and Structures of Nongeminal P-Ethyl, P-Phenyl Cyclotriphosphazenes
Inorganic Chemistry, 2002, 41, 6720-6725
4319041 CIFC23 H28 N3 P3P -110.276; 10.699; 11.925
72.07; 73.79; 85.87
1197.7June-Ho Jung; Hongming Zhang; Patty Wisian-Neilson
Deprotonation-Substitution Reactions of Cyclic Methylphenylphosphazenes: Synthesis and Structures of Nongeminal P-Ethyl, P-Phenyl Cyclotriphosphazenes
Inorganic Chemistry, 2002, 41, 6720-6725
4319042 CIFC24 H30 N3 P3C 1 2/c 129.488; 9.839; 21.172
90; 126.3; 90
4950.6June-Ho Jung; Hongming Zhang; Patty Wisian-Neilson
Deprotonation-Substitution Reactions of Cyclic Methylphenylphosphazenes: Synthesis and Structures of Nongeminal P-Ethyl, P-Phenyl Cyclotriphosphazenes
Inorganic Chemistry, 2002, 41, 6720-6725
4319043 CIFC19 H42 Cl Cu N7 Ni O7 SP -19.2704; 12.8388; 14.3299
109.439; 106.01; 93.99
1521.26Javier Tercero; Carmen Diaz; Joan Ribas; Eliseo Ruiz; José Mahía; Miguel Maestro
New Oxamidato-Bridged CuII-NiII Complexes: Supramolecular Structures with Thiocyanate Ligands and Hydrogen Bonds. Magnetostructural Studies: DFT Calculations
Inorganic Chemistry, 2002, 41, 6780-6789
4319044 CIFC19 H42 Cu F6 N7 Ni O3 P SP -19.639; 12.816; 14.4453
107.83; 108.381; 93.915
1585.04Javier Tercero; Carmen Diaz; Joan Ribas; Eliseo Ruiz; José Mahía; Miguel Maestro
New Oxamidato-Bridged CuII-NiII Complexes: Supramolecular Structures with Thiocyanate Ligands and Hydrogen Bonds. Magnetostructural Studies: DFT Calculations
Inorganic Chemistry, 2002, 41, 6780-6789
4319045 CIFC16 H32 Cu N8 Ni O2 S2P 1 21/c 116.41; 8.4254; 18.5032
90; 111.822; 90
2374.95Javier Tercero; Carmen Diaz; Joan Ribas; Eliseo Ruiz; José Mahía; Miguel Maestro
New Oxamidato-Bridged CuII-NiII Complexes: Supramolecular Structures with Thiocyanate Ligands and Hydrogen Bonds. Magnetostructural Studies: DFT Calculations
Inorganic Chemistry, 2002, 41, 6780-6789
4319046 CIFC20 H40 Cu N8 Ni O2 S2P 1 21/c 114.1197; 15.0147; 13.5192
90; 91.883; 90
2864.6Javier Tercero; Carmen Diaz; Joan Ribas; Eliseo Ruiz; José Mahía; Miguel Maestro
New Oxamidato-Bridged CuII-NiII Complexes: Supramolecular Structures with Thiocyanate Ligands and Hydrogen Bonds. Magnetostructural Studies: DFT Calculations
Inorganic Chemistry, 2002, 41, 6780-6789
4319047 CIFC169 H177 Cl3 Er9 N O44P n -3 n :233.5054; 33.5054; 33.5054
90; 90; 90
37613.6Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319048 CIFC169 H177 Cl3 N O44 Sm9P n -3 n :233.8652; 33.8652; 33.8652
90; 90; 90
38838.4Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319049 CIFC169 H177 Cl3 Eu9 N O44P n -3 n :233.8252; 33.8252; 33.8252
90; 90; 90
38700.9Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319050 CIFC169 H177 Cl3 Gd9 N O44P n -3 n :233.7061; 33.7061; 33.7061
90; 90; 90
38293.5Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319051 CIFC169 H177 Cl3 Dy9 N O44P n -3 n :233.59; 33.59; 33.59
90; 90; 90
37899.2Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4319052 CIFC18 H27 B N2P 1 21/n 17.7873; 13.5711; 15.9311
90; 91.467; 90
1683.1Theodore A. Betley; Jonas C. Peters
Synthesis of the (Dialkylamino)borate, [Ph2B(CH2NMe2)2]-, Affords Access to N-Chelated Rhodium(I) Zwitterions
Inorganic Chemistry, 2002, 41, 6541-6543
4319053 CIFC25 H34 B N2 RhP 1 21/n 112.233; 9.5382; 18.5995
90; 91.504; 90
2169.5Theodore A. Betley; Jonas C. Peters
Synthesis of the (Dialkylamino)borate, [Ph2B(CH2NMe2)2]-, Affords Access to N-Chelated Rhodium(I) Zwitterions
Inorganic Chemistry, 2002, 41, 6541-6543
4319054 CIFAg2 Cu2 O3I 41/a m d :25.8862; 5.8862; 10.6892
90; 90; 90
370.35Eva M. Tejada-Rosales; Juan Rodríguez-Carvajal; Nieves Casañ-Pastor; Pere Alemany; Eliseo Ruiz; M. Salah El-Fallah; Santiago Alvarez; Pedro Gómez-Romero
Room-Temperature Synthesis and Crystal, Magnetic, and Electronic Structure of the First Silver Copper Oxide
Inorganic Chemistry, 2002, 41, 6604-6613
4319055 CIFC74 H160 K6 Li6 O2 P6 Si8 SrP 1 21/n 117.8124; 16.0122; 18.5926
90; 90.57; 90
5302.64Matthias Westerhausen; Sabine Weinrich; Gernot Kramer; Holger Piotrowski
Cage Compounds of Heterotrimetallic Mixed Phosphanediide/Silanolate Aggregates with an Alkaline Earth Metal-Centered Phosphorus Octahedron
Inorganic Chemistry, 2002, 41, 7072-7076
4319056 CIFC74 H160 Ba K6 Li6 O2 P6 Si8P 1 21/n 118.6791; 16.0693; 17.7442
90; 90.904; 90
5325.4Matthias Westerhausen; Sabine Weinrich; Gernot Kramer; Holger Piotrowski
Cage Compounds of Heterotrimetallic Mixed Phosphanediide/Silanolate Aggregates with an Alkaline Earth Metal-Centered Phosphorus Octahedron
Inorganic Chemistry, 2002, 41, 7072-7076
4319057 CIFC18 H16 Fe N6 S4F d d 238.962; 11.545; 30.889
90; 90; 90
13894Nicolás Moliner; M. Carmen Muñoz; Sylvie Létard; Lionel Salmon; Jean-Pierre Tuchagues; Azzedine Bousseksou; José Antonio Real
Mass Effect on the Equienergetic High-Spin/Low-Spin States of Spin-Crossover in 4,4'-Bipyridine-Bridged Iron(II) Polymeric Compounds: Synthesis, Structure, and Magnetic, Mössbauer, and Theoretical Studies
Inorganic Chemistry, 2002, 41, 6997-7005
4319058 CIFC32 H32 Cl N10 O4 RhP 1 21/n 111.8962; 22.2032; 13.4009
90; 105.739; 90
3406.9Chayan Das; Amit K. Ghosh; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
Metal-Promoted Aromatic Ring Amination and Deamination Reactions at a Diazo Ligand Coordinated to Rhodium and Ruthenium
Inorganic Chemistry, 2002, 41, 7125-7135
4319059 CIFC28 H30 Cl2 N7 O4 RhP 1 21/c 119.7142; 7.8744; 20.4434
90; 101.558; 90
3109.2Chayan Das; Amit K. Ghosh; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
Metal-Promoted Aromatic Ring Amination and Deamination Reactions at a Diazo Ligand Coordinated to Rhodium and Ruthenium
Inorganic Chemistry, 2002, 41, 7125-7135
4319060 CIFC34 H27 Cl N8 RuP 1 21/n 110.998; 20.067; 14.53
90; 110.26; 90
3008.3Chayan Das; Amit K. Ghosh; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
Metal-Promoted Aromatic Ring Amination and Deamination Reactions at a Diazo Ligand Coordinated to Rhodium and Ruthenium
Inorganic Chemistry, 2002, 41, 7125-7135
4319061 CIFC28 H22 Cl N7 RuP 1 21/n 113.481; 14.377; 13.543
90; 91.83; 90
2624Chayan Das; Amit K. Ghosh; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
Metal-Promoted Aromatic Ring Amination and Deamination Reactions at a Diazo Ligand Coordinated to Rhodium and Ruthenium
Inorganic Chemistry, 2002, 41, 7125-7135
4319062 CIFC36 H31 Cl F6 N8 P RhP -18.9645; 12.4699; 17.0283
107.483; 104.519; 92.834
1741.5Chayan Das; Amit K. Ghosh; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
Metal-Promoted Aromatic Ring Amination and Deamination Reactions at a Diazo Ligand Coordinated to Rhodium and Ruthenium
Inorganic Chemistry, 2002, 41, 7125-7135
4319063 CIFBi Rb S4 SiP 1 21/c 16.4714; 6.7999; 17.9058
90; 108.856; 90
745.66Jiyong Yao; Bin Deng; Donald E. Ellis; James A. Ibers
New Quaternary Bismuth Sulfides: Syntheses, Structures, and Band Structures of AMBiS4 (A = Rb, Cs; M = Si, Ge)
Inorganic Chemistry, 2002, 41, 7094-7099
4319064 CIFBi Ge Rb S4P 1 21/c 16.5864; 6.8559; 17.981
90; 109.075; 90
767.36Jiyong Yao; Bin Deng; Donald E. Ellis; James A. Ibers
New Quaternary Bismuth Sulfides: Syntheses, Structures, and Band Structures of AMBiS4 (A = Rb, Cs; M = Si, Ge)
Inorganic Chemistry, 2002, 41, 7094-7099
4319065 CIFBi Cs Ge S4P 1 21/c 16.5474; 6.9282; 18.8875
90; 110.173; 90
804.21Jiyong Yao; Bin Deng; Donald E. Ellis; James A. Ibers
New Quaternary Bismuth Sulfides: Syntheses, Structures, and Band Structures of AMBiS4 (A = Rb, Cs; M = Si, Ge)
Inorganic Chemistry, 2002, 41, 7094-7099
4319066 CIFBi Cs S4 SiP 1 21/c 19.3351; 6.9313; 12.8115
90; 109.096; 90
783.34Jiyong Yao; Bin Deng; Donald E. Ellis; James A. Ibers
New Quaternary Bismuth Sulfides: Syntheses, Structures, and Band Structures of AMBiS4 (A = Rb, Cs; M = Si, Ge)
Inorganic Chemistry, 2002, 41, 7094-7099
4319067 CIFC4 H12 Br3 N PbP 1 21/c 110.753; 23.976; 14.239
90; 111.5; 90
3416Roger D. Willett; Karen R. Maxcy; Brendan Twamley
Polytypism in Columnar Group 14 Halide Salts: Structures of (Et2NH2)3Pb3X9.nH2O (X = Cl, Br) and (β-alaninium)2SnI4
Inorganic Chemistry, 2002, 41, 7024-7030
4319068 CIFC12 H36 I9 N3 O0 Pb3P 1 21/c 111.281; 24.917; 14.371
90; 110.917; 90
3773Roger D. Willett; Karen R. Maxcy; Brendan Twamley
Polytypism in Columnar Group 14 Halide Salts: Structures of (Et2NH2)3Pb3X9.nH2O (X = Cl, Br) and (β-alaninium)2SnI4
Inorganic Chemistry, 2002, 41, 7024-7030
4319069 CIFC6 H16 I6 N2 O4 Sn2P 1 21/c 120.604; 13.1461; 8.4823
90; 95.75; 90
2286Roger D. Willett; Karen R. Maxcy; Brendan Twamley
Polytypism in Columnar Group 14 Halide Salts: Structures of (Et2NH2)3Pb3X9.nH2O (X = Cl, Br) and (β-alaninium)2SnI4
Inorganic Chemistry, 2002, 41, 7024-7030
4319070 CIFH172 Mo16 Na6 Ni22 O216 P26C c c m23.999; 36.595; 20.445
90; 90; 90
17956Charlotte du Peloux; Anne Dolbecq; Pierre Mialane; Jérôme Marrot; Eric Rivière; Francis Sécheresse
A New Two-Dimensional Molybdenum(V) Nickel Phosphate Built Up of [H18(Mo16O32)Ni16(PO4)26(OH)6(H2O)8]18- Wheels
Inorganic Chemistry, 2002, 41, 7100-7104
4319071 CIFC44 H56 B Cl Mo N4 OI 41/a :214.5167; 14.5167; 22.23
90; 90; 90
4684.6Ryan E. Da Re; Michael D. Hopkins
Electronic Spectra and Structures of d2 Molybdenum-Oxo Complexes. Effects of Structural Distortions on Orbital Energies, Two-Electron Terms, and the Mixing of Singlet and Triplet States
Inorganic Chemistry, 2002, 41, 6973-6985
4319072 CIFC44 H56 B Cl Mo N4 OI 1 2/a 114.227; 21.291; 14.626
90; 90.925; 90
4429.7Ryan E. Da Re; Michael D. Hopkins
Electronic Spectra and Structures of d2 Molybdenum-Oxo Complexes. Effects of Structural Distortions on Orbital Energies, Two-Electron Terms, and the Mixing of Singlet and Triplet States
Inorganic Chemistry, 2002, 41, 6973-6985
4319073 CIFC12 H42 Cl2 Mo O6 P4P b c m9.4515; 11.9016; 23.214
90; 90; 90
2611.3Ryan E. Da Re; Michael D. Hopkins
Electronic Spectra and Structures of d2 Molybdenum-Oxo Complexes. Effects of Structural Distortions on Orbital Energies, Two-Electron Terms, and the Mixing of Singlet and Triplet States
Inorganic Chemistry, 2002, 41, 6973-6985

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