Crystallography Open Database

Information card for entry 1562658

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Coordinates	1562658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cu2 O12
Calculated formula	C16 H16 Cu2 O12
SMILES	[Cu](OC(c1ccc(C(=O)[O-])cc1)=O)([OH2])([O]=C(c1ccc(C(=O)[O-])cc1)O[Cu]([OH2])[OH2])[OH2]
Title of publication	Synthesis, crystal structure, and magnetic properties of bis(aqua)[μ-(terepthalato-κo,κo′)]copper(II)monohydrate [Cu(C8O4)(OH2)2]·H2O
Authors of publication	Nfor, Emmanuel N.; Majoumo-Mbe, Felicite; Ndifon, Peter T.; Duke, Emmanuel O.; Mainsah, Evans N.; Offiong, Offiong E.; Eno, Ededet A.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	201
Pages of publication	133 - 136
a	6.296 ± 0.0002 Å
b	6.8703 ± 0.0002 Å
c	22.9826 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	994.12 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P n c a
Hall space group symbol	-P 2a 2n
Residual factor for all reflections	0.159
Residual factor for significantly intense reflections	0.1464
Weighted residual factors for significantly intense reflections	0.4624
Weighted residual factors for all reflections included in the refinement	0.4784
Goodness-of-fit parameter for all reflections included in the refinement	2.239
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
265302 (current)	2021-05-18	cif/ Adding structures of 1562658 via cif-deposit CGI script.	1562658.cif