Crystallography Open Database

Information card for entry 1557190

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Coordinates	1557190.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[bpmpCu(Cl)VO-(H2O)](C1O4)2
Formula	C33 H35 Cl3 Cu N6 O11 V
Calculated formula	C33 Cl3 Cu N6 O11 V
SMILES	[Cu]123(Cl)[O]4[V]56(=O)([OH2])[N](Cc7c4c(cc(c7)C)C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)(Cc1[n]5cccc1)Cc1[n]6cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Crystal Structure and Magnetic Properties of a Copper(II)-Vanadium(IV) Complex of an 'Open-Ended' Dinucleating Ligand
Authors of publication	Hazell, Alan; McKenzie, Christine J.; Moubaraki, Boujemaa; Murray, Keith S.
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	470 - 475
a	23.445 ± 0.003 Å
b	16.392 ± 0.003 Å
c	20.612 ± 0.003 Å
α	90°
β	106.955 ± 0.007°
γ	90°
Cell volume	7577 ± 2 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247376 (current)	2020-01-30	cif/ Adding structures of 1557190 via cif-deposit CGI script.	1557190.cif