Crystallography Open Database

Information card for entry 7227258

Preview

Coordinates	7227258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cl4 N2 O4 Re
Calculated formula	C12 H10 Cl4 N2 O4 Re
SMILES	c1cc(c2cc[nH+]cc2)cc[nH+]1.Cl[Re]1(OC(=O)C(=O)O1)(Cl)(Cl)Cl
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	9.307 ± 0.0003 Å
b	17.6267 ± 0.0004 Å
c	10.8072 ± 0.0003 Å
α	90°
β	113.592 ± 0.004°
γ	90°
Cell volume	1624.75 ± 0.09 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7227258.cif
189110	2016-12-14	cif/ Adding structures of 7227258, 7227259 via cif-deposit CGI script.	7227258.cif