Crystallography Open Database

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1529233 CIF
HKL
C8 H11 Li N2 O2 SP 1 21/n 110.6778; 7.2687; 13.2021
90; 108.841; 90
969.8Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor
The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes
Polyhedron, 2015, 85, 493
1529239 CIF
HKL
C8 H11 Cs N2 O2 SP 21 21 214.5236; 14.739; 16.937
90; 90; 90
1129.2Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor
Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes
Polyhedron, 2015, 98, 113
1529240 CIF
HKL
C8 H15 N3 O2 SP -18.472; 8.853; 8.964
98.436; 116.059; 109.916
531.8Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor
Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes
Polyhedron, 2015, 98, 113
1529241 CIF
HKL
C8 H11 N2 O2 Rb SP 21 21 214.373; 14.789; 16.923
90; 90; 90
1094.4Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor
Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes
Polyhedron, 2015, 98, 113
1529242 CIF
HKL
C8 H11 N2 O2 S TlP 21 21 214.3767; 14.7003; 16.6064
90; 90; 90
1068.44Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor
Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes
Polyhedron, 2015, 98, 113
1532317 CIFC5 H18 Co Fe N12 O4.5C 1 2/c 128.398; 6.418; 22.397
90; 123.53; 90
3402.78Soria, D.B.; Chacon Villalba, M.E.; Piro, O.E.; Aymonino, P.J.
Crystal and molecular structure and photoisomerisation of nitropentaamminecobalt(III) nitroprusside sesquihydrate, (Co (N H3)5 N O2) (Fe (C N)5 N O) * 1.5(H2 O)
Polyhedron, 2002, 21, 1767-1774
1534416 CIFH12 N6 O6 S3P 1 21/c 111.7054; 6.1421; 13.984
90; 96.745; 90
998.431Rustad, D. S.
The correct triammonium trisulfimide (triammonium 1,3,5,2,4,6-trithiatriazine,1,1,3,3,5,5-hexoxide), (N H4)3 N3 S3 O6
Polyhedron, 2001, 20, 2439-2444
1534420 CIFH21 N9 O12 S5P 1 21/n 17.4163; 15.079; 9.75
90; 98.292; 90
1078.95Rustad, D. S.
The correct triammonium trisulfimide (triammonium 1,3,5,2,4,6-trithiatriazine,1,1,3,3,5,5-hexoxide), (N H4)3 N3 S3 O6
Polyhedron, 2001, 20, 2439-2444
1534510 CIFCd4 H98 N10 O97 P2 W18P 1 21/n 113.113; 20.098; 16.278
90; 95.917; 90
4267.13Alizadeh, M.H.; Mohammadi Zonoz, F.; Razavi, H.; Mohammadi, M.R.
Synthesis, single-crystal structural determination and solution characterization of a new sandwich-type cadmium - containing heteropolytungstate
Polyhedron, 2003, 22, 933-939
1534880 CIFH36 N3 Na3 O40 V10P 1 21/n 111.992; 17.1; 18.038
90; 105.89; 90
3557.59Maciejewska, G.; Nosek, M.; Glovyak, T.; Starosta, J.; Cieslak-Golonka, M.
Catalytical decomposition of L-glutamic acid and L-glutamine vanadium species. Electronic spectra of ammonium-sodium oligovanadates isolated from the system (Na V O3 (V O S O4) - Glu(Gln)). Crystal structure of Na3 (N H4)3 (V10 O28) * 12(H2 O)
Polyhedron, 2003, 22, 1415-1423
1535003 CIFC4 H23.27 B9 Cl2.73 NP -17.642; 9.66; 10.771
89.37; 86.72; 81.89
785.889Hamilton, E.J.M.; Liu, J.; Meyers, E.A.
The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates
Polyhedron, 2006, 25, 1901-1908
1535006 CIFC4 H25 B9 Cl NP 1 21/c 19.729; 10.682; 14
90; 96.91; 90
1444.38Hamilton, E.J.M.; Meyers, E.A.; Liu, J.
The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates
Polyhedron, 2006, 25, 1901-1908
1535343 CIFPb9 Rb4P 1 21/m 19.888; 13.393; 16.224
90; 102.987; 90
2093.59Bobev, S.; Sevov, S.C.
Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-
Polyhedron, 2002, 21, 641-649
1535346 CIFCs10 K6 Pb36P 19.843; 15.155; 15.289
104.51; 97.63; 99.55
2140.71Bobev, S.; Sevov, S.C.
Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-
Polyhedron, 2002, 21, 641-649
1535349 CIFCs3 Na Pb4C m c m7.267; 17.282; 11.074
90; 90; 90
1390.77Bobev, S.; Sevov, S.C.
Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-
Polyhedron, 2002, 21, 641-649
1535699 CIFAs2 Cd4 Cl2 Cs4 H40 K3 Na3 O88 W18P 1 21/n 113.1402; 19.0642; 17.5666
90; 90.274; 90
4400.51Hussain, F.; Bi, L.H.; Rauwald, U.; Reicke, M.; Kortz, U.
Structure and Solution Properties of the Cadmium(II)-Substituted Tungstoarsenate [Cd4 Cl2 (B-alpha-As W9 O34)2](12-)
Polyhedron, 2005, 24, 847-852
1536098 CIFMn0.75 O8 P2 Zn2.25P 1 21/n 17.563; 8.533; 5.056
90; 94.78; 90
325.155Nord, A.G.; Stefanidis, T.
Strong Zn2+/Mn2+ cation ordering among five- and sixcoordinated sites in gamma-(Zn.75 Mn.25)3 (P O4)2
Polyhedron, 1982, 1, 349-353
1536574 CIFC H44 As2 K10 Na O93 W18 Y3P 21 320.7572; 20.7572; 20.7572
90; 90; 90
8943.47Khoshnavazi, R.; Moaser, A.G.; Salimi, A.
Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))
Polyhedron, 2008, 27, 1303-1309
1536576 CIFC H50 As2 K10 Na O96 Sm3 W18P 21 320.8529; 20.8529; 20.8529
90; 90; 90
9067.75Khoshnavazi, R.; Salimi, A.; Moaser, A.G.
Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))
Polyhedron, 2008, 27, 1303-1309
1536589 CIFCl13 H3 O2 S0.5 Te3R 3 m :H11.1455; 11.1455; 17.552
90; 90; 120
1888.24Pietikainen, J.; Maaninen, A.; Valkonen, J.; Laitinen, R.S.; Oilunkaniemi, R.
Halogenation of tellurium by S O2 Cl2. Formation and crystal structures of (H3 O) (Te3 Cl13) * 0.5(S O2), ((C4 H8 O)2 H) (Te Cl5) * (C4 H8 O), ((Me2 S O)2 H)2 (Te Cl6) and (Ni (N C C H3)6) (Te2 Cl10)
Polyhedron, 2002, 21, 1089-1095
1537146 CIFAs2 H74 K Mn4 Na9 O105 W18P -111.6368; 14.2113; 17.6343
98.876; 105.682; 113.29
2463.89Rosu, C.; Crans, D.C.; Weakley, T.J.R.
Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)
Polyhedron, 2002, 21, 959-962
1537150 CIFAs4 H112 K Na27 O196 W40I -419.491; 19.491; 25.783
90; 90; 90
9794.94Rosu, C.; Crans, D.C.; Weakley, T.J.R.
Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)
Polyhedron, 2002, 21, 959-962
1537230 CIFBi11.23 Cl12.23 IrR 3 :H12.666; 12.666; 15.86
90; 90; 120
2203.5Ruck, M.; Hampel, S.
Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x
Polyhedron, 2002, 21, 651-656
1537233 CIFBi11.7 Cl12.7 RhR 3 :H12.612; 12.612; 15.917
90; 90; 120
2192.6Ruck, M.; Hampel, S.
Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x
Polyhedron, 2002, 21, 651-656
1537236 CIFBi11.28 Br12.28 RhR 3 :H12.961; 12.961; 16.416
90; 90; 120
2388.22Ruck, M.; Hampel, S.
Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x
Polyhedron, 2002, 21, 651-656
1539670 CIFI12 Nb2 Se4 Te4P -111.745; 14.96; 10.831
95.67; 116.19; 98.19
1662.03Fedin, V.P.; Fedorov, V.E.; Imoto, H.; Daito, T.
Synthesis and structure of Nb2 (mue-Se2)2 (Te2 I6)2
Polyhedron, 1997, 16, 995-998
1540845 CIFO3 UP m -3 m4.165; 4.165; 4.165
90; 90; 90
72.251Weller, M.T.; Penny, D.J.; Dickens, P.G.
The structure of delta - U O3
Polyhedron, 1988, 7, 243-244
1541035 CIFH6 O5 P2 ZnP 1 21/c 17.685; 7.376; 10.468
90; 104.16; 90
575.345Tanner, P.A.; Mak, T.C.W.; Liu, Y.-L.
Synthesis, crystal structure and vibrational spectra of zinc hypophosphites
Polyhedron, 1997, 16, 495-505
1541518 CIFC16 H58 Br8 Mo6 Na2 O16P -110.811; 12.27; 10.776
97.31; 119.36; 95.42
1215.21Brnicevic, N.; Basic, I.; McCarley, R.E.; Hoxha, B.; Planinic, P.
Molybdenum and tungsten methoxo clusters with differently bonded methoxo groups. Crystal structure of (Na (C H3 O H)5)2 (Mo6 (mue3-Br)8 (O C H3)6)
Polyhedron, 2003, 22, 1553-1559
1541637 CIFC12 H12 K4 N12 O6 Re4 Se4P -112.459; 12.504; 13.079
109.2; 107.303; 108.937
1623.12Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.
Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)
Polyhedron, 2001, 20, 969-974
1541686 CIFC8 H26 Au2 Cl2 N4 P2 Se2P -4 21 c10.7588; 10.7588; 18.6845
90; 90; 90
2162.76Fettouhi, M.; Wazeer, M.I.M.; Ahmad, S.; Isab, A.A.
X-ray structure and (77)Se, (31)P and (13)C MAS NMR of the dinuclear complex 1,2-bis(selenourea)-1kappaSe,2kappaSe -1,2-bis(trimethylphosphine)digold(I) chloride
Polyhedron, 2004, 23, 1-4
1541713 CIFC12 H12 Mn2 N12 O6 Re4 Se4I m m a10.624; 14.999; 19.013
90; 90; 90
3029.71Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.
Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)
Polyhedron, 2001, 20, 969-974
1541714 CIFC12 H12 Cd2 N12 O6 Re4 Te4I m m a10.684; 15.528; 19.118
90; 90; 90
3171.7Mironov, Yu.V.; Sheldrick, W.S.; Virovets, A.V.; Fedorov, V.E.
Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)
Polyhedron, 2001, 20, 969-974
1541715 CIFC12 H8 Cu2 N12 O4 Re4 Te4I m m a10.19; 15.181; 18.953
90; 90; 90
2931.92Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.
Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)
Polyhedron, 2001, 20, 969-974
1541736 CIFC H12 Cl4 Cu N6 OP b c a10.07; 11.603; 18.39
90; 90; 90
2148.73Savel'eva, Z.A.; Romanenko, G.V.; Larionov, S.V.; Sheludyakova, L.A.
Synthesis and structure of a complex with the coordinated triaminoguanidinium(2+) ion, (Cu (TAG H2) Cl3) Cl . (H2 O)
Polyhedron, 2000, 19, 1737-1740
1542045 CIFH6 N2 Ni O6 V2P n m a5.535; 10.661; 11.772
90; 90; 90
694.65Lin, B.-Z.; Liu, S.-X.
Hydrothermal syntheses, structures and magnetic properties of coordination cation metavanadates, Cu (tn)2 (V O3)2 and Ni (N H3)2 (V O3)2
Polyhedron, 2000, 19, 2521-2527
1544271 CIF
HKL
C40 H30 Co N2 O4P 1 21/c 111.3689; 16.701; 17.007
90; 92.09; 90
3227Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Michael P. Sigalas; Miguel Quirós; Stavroula Skoulika
Different Geometries of Novel Cobalt(II) Compounds with 2-Hydroxy-benzophenones and Neocuproine: Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)~2~(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br~2~].CH~3~OH.H~2~O
Polyhedron, 2013, 52, 1306-1316
1546427 CIFC16 H26 Mn N4 O6 S2P b c a9.1341; 13.5068; 16.573
90; 90; 90
2044.7Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin
Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability
Polyhedron, 2017, 134, 120-125
1546428 CIFC16 H32 Mn N4 O9 S2P b c a11.8868; 13.8324; 29.9847
90; 90; 90
4930.2Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin
Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability
Polyhedron, 2017, 134, 120-125
1546429 CIFC48 H86 Mn3 N12 O22 S6P -19.0094; 14.0378; 14.5823
109.494; 92.834; 106.941
1640.9Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin
Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability
Polyhedron, 2017, 134, 120-125
1549441 CIFC14 H14 Mn N4 O7P 1 21/n 17.5244; 10.5204; 20.806
90; 95.374; 90
1639.8El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N.
XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]
Polyhedron, 2010, 29, 1405
1549442 CIFC22 H26 Mn N4 O8P 1 21/c 116.5442; 9.2953; 16.9886
90; 114.337; 90
2380.4El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N.
XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]
Polyhedron, 2010, 29, 1405
1559880 CIF
HKL
C14 H14 Cu N16 O6P -18.355; 10.408; 12.2948
93.12; 96.497; 97.972
1049.33Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam
Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production
Polyhedron, 2020, 180, 114412
1559881 CIF
HKL
C15 H18 N16 Ni O7P -17.9534; 10.3562; 14.6063
100.637; 104.771; 97.685
1122.45Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam
Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production
Polyhedron, 2020, 180, 114412
1566066 CIFC10 H10 N4 SP 1 21/c 17.26; 7.8108; 18.1459
90; 96.937; 90
1021.46Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.
Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies
Polyhedron, 2021, 207, 115390
1566067 CIFC20 H20 Br2 Co N8 S2P -19.3193; 11.5459; 12.0528
83.801; 67.752; 82.678
1188.02Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.
Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies
Polyhedron, 2021, 207, 115390
1566068 CIFC20 H20 Cl2 Co N8 S2P -19.1904; 11.3464; 12.1781
83.817; 68.057; 81.985
1164.26Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.
Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies
Polyhedron, 2021, 207, 115390
1566069 CIFC6 H4 K Mo N O9P 1 21/n 19.2477; 19.5475; 6.9631
90; 111.311; 90
1172.65Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław
Synthesis, crystal structure and selected properties of two new peroxidomolybdates
Polyhedron, 2020, 183, 114530
1566070 CIFC12 H20 Mo2 N4 O18P -16.5619; 7.1063; 12.0469
91.517; 96.093; 104.61
539.69Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław
Synthesis, crystal structure and selected properties of two new peroxidomolybdates
Polyhedron, 2020, 183, 114530
1570920 CIFC8 H11 Cl2 N3 Pt SP 1 21/c 117.9683; 7.3231; 17.3899
90; 91.123; 90
2287.8Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.
Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines
Polyhedron, 2024, 248, 116756

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