Crystallography Open Database

Information card for entry 7227259

Preview

Coordinates	7227259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cl4 N8 O4 Re
Calculated formula	C14 H14 Cl4 N8 O4 Re
SMILES	[Re]1(Cl)(Cl)(Cl)(Cl)OC(=O)C(=O)O1.n1cc[nH]c1c1[nH]cc[nH+]1.n1cc[nH]c1c1[nH]cc[nH+]1
Title of publication	Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties
Authors of publication	Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	3
Pages of publication	503
a	9.8643 ± 0.0002 Å
b	9.9913 ± 0.0002 Å
c	12.1357 ± 0.0002 Å
α	93.364 ± 0.0007°
β	92.3297 ± 0.0007°
γ	119.535 ± 0.0006°
Cell volume	1035.51 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0168
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
191560 (current)	2017-02-04	cif/ Updating files of 7227258, 7227259 Original log message: Adding full bibliography for 7227258--7227259.cif.	7227259.cif
189110	2016-12-14	cif/ Adding structures of 7227258, 7227259 via cif-deposit CGI script.	7227259.cif