Crystallography Open Database

Information card for entry 4513007

Preview

Coordinates	4513007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Br6 N8 O4 Re
Calculated formula	C16 H22 Br6 N8 O4 Re
Title of publication	Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts
Authors of publication	Martínez-Lillo, José; Pedersen, Anders H.; Faus, Juan; Julve, Miguel; Brechin, Euan K.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	6
Pages of publication	2598
a	7.00853 ± 0.00019 Å
b	14.2899 ± 0.0004 Å
c	14.7561 ± 0.0005 Å
α	109.521 ± 0.003°
β	92.258 ± 0.002°
γ	101.047 ± 0.002°
Cell volume	1358.51 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 0.1 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	0.0384
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
138060 (current)	2015-06-05	cif/ Updating files of 4513007, 4513008 Original log message: Adding full bibliography for 4513007--4513008.cif.	4513007.cif
136712	2015-05-18	cif/ Adding structures of 4513007 via cif-deposit CGI script.	4513007.cif