Crystallography Open Database

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Searching journal of publication like 'Journal of Coordination Chemistry'

COD ID: 1100142
CIF file Formula: - Cl Co Cr2 H20 N6 O8 -
Comments: Raj Pal Sharma; Ritu Bala; Rajni Sharma; Juan M. Salas; Miguel Quiros Journal of Coordination Chemistry 58 (2005) 217-223
Space group: P 1 21/c 1
Cell volume: 1395.2
Cell parameters: 10.0218; 9.3216; 16.2203; 90; 112.962; 90;  

COD ID: 1100143
CIF file Formula: - C5 H16 Co N11 S -
Comments: Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quiros; Juan M. Salas Journal of Coordination Chemistry 56 (2003) 1581-1586
Space group: P 1 21/c 1
Cell volume: 1273.63
Cell parameters: 12.195; 9.0317; 12.6017; 90; 113.419; 90;  

COD ID: 1101017
CIF file Formula: - C8 H32 Cl2 Co2 N8 O6 S4 -
Comments: Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas Journal of Coordination Chemistry 58 (2005) 1099-1104
Space group: P -1
Cell volume: 586.8
Cell parameters: 6.3067; 7.782; 12.7658; 100.043; 91.562; 107.339;  

COD ID: 1101087
CIF file Formula: - C36 H24 Cu F12 N6 P2 -
Comments: José M. Seco; María J. González Garmendia; Miguel Quirós Journal of Coordination Chemistry 55 (2002) 345-351
Space group: C 1 2/c 1
Cell volume: 10707.5
Cell parameters: 54.836; 15.923; 12.299; 90; 94.382; 90;  

COD ID: 1513064
CIF file Formula: - C10 H12 K N6 O10 S0 -
Comments: Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study Journal of Coordination Chemistry 65 (2012) 2055
Space group: P -1
Cell volume: 834.7
Cell parameters: 6.444; 7.527; 17.57; 90.391; 99.196; 97.017;  

COD ID: 1513065
CIF file Formula: - C4 H2 K N3 O6 -
Comments: Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study Journal of Coordination Chemistry 65 (2012) 2055
Space group: P 1 21/c 1
Cell volume: 847.4
Cell parameters: 11.296; 11.981; 6.493; 90; 105.347; 90;  

COD ID: 1513066
CIF file Formula: - C11.2 H6.4 K2.4 N0 O10.4 S1.6 -
Comments: Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study Journal of Coordination Chemistry 65 (2012) 2055
Space group: P 1 21/c 1
Cell volume: 1990
Cell parameters: 18.814; 5.4898; 19.856; 90; 103.984; 90;  

COD ID: 1513067
CIF file Formula: - C7 H3 K2 O7.5 S -
Comments: Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study Journal of Coordination Chemistry 65 (2012) 2055
Space group: P 1 21/c 1
Cell volume: 2246.1
Cell parameters: 7.4067; 11.291; 27.061; 90; 97.024; 90;  

COD ID: 1513169
CIF file Formula: - C4 H8 Cu N2 O5 -
Comments: Lamshöft, M.; Ivanova, B. Review: Protonation and coordination ability of small peptides - theoretical and experimental approaches for elucidation Journal of Coordination Chemistry 64(14) (2011) 2419-2442
Space group: P 21 21 21
Cell volume: 764.9
Cell parameters: 5.229; 10.824; 13.514; 90; 90; 90;  

COD ID: 1521641
CIF file Formula: - C4 H8.666 Cd Cr0.333 Ir0.333 N4 O4.333 -
Comments: Mullica, D.F.; Farmer, J.M.; Kautz, J.A. X-ray crystallographic investigations and characterizations of three mixed anionic hexacyano complexes Journal of Coordination Chemistry 48 (1999) 449-457
Space group: F m -3 m
Cell volume: 1289.33
Cell parameters: 10.884; 10.884; 10.884; 90; 90; 90;  

COD ID: 1521642
CIF file Formula: - C4 H8.666 Co1.333 Ir0.333 N4 O4.333 -
Comments: Mullica, D.F.; Farmer, J.M.; Kautz, J.A. X-ray crystallographic investigations and characterizations of three mixed anionic hexacyano complexes Journal of Coordination Chemistry 48 (1999) 449-457
Space group: F m -3 m
Cell volume: 1123.57
Cell parameters: 10.396; 10.396; 10.396; 90; 90; 90;  

COD ID: 1521643
CIF file Formula: - C4 H8.666 Cr0.333 Ir0.333 N4 O4.333 Pd -
Comments: Mullica, D.F.; Farmer, J.M.; Kautz, J.A. X-ray crystallographic investigations and characterizations of three mixed anionic hexacyano complexes Journal of Coordination Chemistry 48 (1999) 449-457
Space group: F m -3 m
Cell volume: 1142.81
Cell parameters: 10.455; 10.455; 10.455; 90; 90; 90;  

COD ID: 1525674
CIF file Formula: - Co4 H51 N17 O26 -
Comments: Bernal, I.; Cetrullo, J.; Berhane, S. The crystal and molecular structures of two derivatives of Werner's hexol cluster cation: (Co ((O H)2 Co (N H3)4)3) (N O3)5 (O H) * 4(H2 O) (I) and (Co ((O H)2 Co (N H3)4)3) (N O3)6 * 2(H2 O) (II) Journal of Coordination Chemistry 52 (2000) 185-205
Space group: P 1 21/n 1
Cell volume: 3515.27
Cell parameters: 11.789; 13.855; 21.534; 90; 91.94; 90;  

COD ID: 1525675
CIF file Formula: - Co4 H46 N18 O26 -
Comments: Bernal, I.; Cetrullo, J.; Berhane, S. The crystal and molecular structures of two derivatives of Werner's hexol cluster cation: (Co ((O H)2 Co (N H3)4)3) (N O3)5 (O H) * 4(H2 O) (I) and (Co ((O H)2 Co (N H3)4)3) (N O3)6 * 2(H2 O) (II) Journal of Coordination Chemistry 52 (2000) 185-205
Space group: P -1
Cell volume: 1691.46
Cell parameters: 12.858; 12.475; 12.114; 98.06; 96.63; 61.71;  

COD ID: 1528614
CIF file Formula: - C6 H6 Fe K3 O15 -
Comments: Junk, P.C. Supramolecular interactions in the x-ray crystal structure of potassium tris(oxalato)ferrate(III) trihydrate Journal of Coordination Chemistry 58 (2005) 355-361
Space group: P 1 21/c 1
Cell volume: 1518.55
Cell parameters: 7.7422; 19.9168; 10.3457; 90; 107.846; 90;  

COD ID: 1529220
CIF file

HKL data

 Formula: - C16 H28 Ca2 N8 O16 S4 -
Comments: Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor Calcium and strontium thiobarbiturates with discrete and polymeric structures Journal of Coordination Chemistry 66(23) (2013) 4119
Space group: P -1
Cell volume: 752.55
Cell parameters: 8.418; 9.1422; 10.6741; 76.07; 84.554; 70.733;  

COD ID: 1529221
CIF file

HKL data

 Formula: - C8 H14 N4 O8 S2 Sr -
Comments: Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor Calcium and strontium thiobarbiturates with discrete and polymeric structures Journal of Coordination Chemistry 66(23) (2013) 4119
Space group: P 1 21/n 1
Cell volume: 1535.13
Cell parameters: 12.9753; 7.2255; 16.4338; 90; 94.883; 90;  

COD ID: 1529222
CIF file

HKL data

 Formula: - C8 H20 Ca N4 O11 S2 -
Comments: Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor Calcium and strontium thiobarbiturates with discrete and polymeric structures Journal of Coordination Chemistry 66(23) (2013) 4119
Space group: P b c n
Cell volume: 1861.2
Cell parameters: 12.9805; 8.4004; 17.069; 90; 90; 90;  

COD ID: 1529234
CIF file

HKL data

 Formula: - C10 H17 N4 Nd O10 S2 -
Comments: Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4 Journal of Coordination Chemistry 68(11) (2015) 1865
Space group: P 1 21/n 1
Cell volume: 1854.64
Cell parameters: 8.5939; 22.9953; 10.1832; 90; 112.838; 90;  

COD ID: 1529235
CIF file

HKL data

 Formula: - Nd2 O6 S -
Comments: Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4 Journal of Coordination Chemistry 68(11) (2015) 1865
Space group: I 2 2 2
Cell volume: 232.27
Cell parameters: 4.11991; 4.22332; 13.349; 90; 90; 90;  

COD ID: 1534807
CIF file Formula: - Cl Co H24 Mo N6 O7 -
Comments: Sharma, R.P.; Venugopalan, P.; Sharma, R.; Bala, R. Cationic cobaltammines as anion receptors. Part V. Synthesis, characterization and X-ray structure of [Co (N H3)6] Cl Mo O4 * 3 H2 O Journal of Coordination Chemistry 57 (2004) 1563-1569
Space group: P n m a
Cell volume: 1382.59
Cell parameters: 18.408; 8.672; 8.661; 90; 90; 90;  

COD ID: 1542177
CIF file Formula: - Cl5 Cs2 H2 O Rh -
Comments: Thomas, C.K.; Stanko, J.A. The crystal structure of cesium aquopentachlororhodate(II) Journal of Coordination Chemistry 2 (1973) 231-234
Space group: A m a m
Cell volume: 1018.87
Cell parameters: 8.023; 17.271; 7.353; 90; 90; 90;  

COD ID: 1542917
CIF file

HKL data

 Formula: - C16 H26 Ca N4 O6 S2 -
Comments: N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry 69(6) (2016) 957-965
Space group: P b c a
Cell volume: 2195.64
Cell parameters: 9.3535; 13.8812; 16.9106; 90; 90; 90;  

COD ID: 1542918
CIF file

HKL data

 Formula: - C16 H26 N4 O6 S2 Sr -
Comments: N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry 69(6) (2016) 957-965
Space group: P b c a
Cell volume: 2306.7
Cell parameters: 9.529; 14.161; 17.094; 90; 90; 90;  

COD ID: 1544281
CIF file

HKL data

 Formula: - C4 H6 N2 Na O3.5 S -
Comments: N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties Journal of Coordination Chemistry 69(21) (2016) 3219-3230
Space group: P 1 21/c 1
Cell volume: 1464.6
Cell parameters: 10.4177; 10.9492; 13.6822; 90; 110.206; 90;  

COD ID: 1544282
CIF file

HKL data

 Formula: - C4 H7 N2 Na O4 S -
Comments: N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties Journal of Coordination Chemistry 69(21) (2016) 3219-3230
Space group: P 21 21 21
Cell volume: 1517.7
Cell parameters: 6.7075; 11.0451; 20.4865; 90; 90; 90;  

COD ID: 1546343
CIF file Formula: - C8 H10 Ba N4 O8 -
Comments: L.A. Solovyov; N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal structure, spectroscopic and thermal properties Journal of Coordination Chemistry 70(12) (2017) 1984-1993
Space group: P -1
Cell volume: 616.46
Cell parameters: 7.5017; 9.5304; 9.809; 65.533; 74.971; 83.42;  

COD ID: 1559906
CIF file Formula: - C15 H24 Cu Fe N10 O -
Comments: Smékal, Zdeněk; Maris, Thierry; Korabik, Maria Structure and magnetic properties of binuclear [Cu(amppz) (μ-NC)Fe(CN)4NO] (amppz = 1,4-bis(3-aminopropyl) piperazine) Journal of coordination chemistry 67 (2014) 3167-3175
Space group: P 1 21/c 1
Cell volume: 2074.95
Cell parameters: 10.5603; 10.7805; 18.3122; 90; 95.561; 90;  

COD ID: 9012854
CIF file Formula: - As6 Cu5 H18 Na O34 Sb0.96 Ti1.04 -
Comments: Hawthorne, F. C.; Cooper, M. A.; Paar, W. H. The crystal structure of braithwaiteite Journal of Coordination Chemistry 61 (2008) 15-29
Space group: P -1
Cell volume: 679.756
Cell parameters: 7.0308; 9.8823; 10.6754; 106.973; 104.274; 93.839;  


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