Crystallography Open Database

Information card for entry 7022056

7022055 << 7022056 >> 7022057

Preview

Coordinates	7022056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H91 Br12 Co2 N15 O21 Re3
Calculated formula	C94 H91 Br12 Co2 N15 O21 Re3
Title of publication	Ferromagnetic coupling and spin canting behaviour in heterobimetallic Re(IV)M(II/III) (M = Co(II/III), Ni(II)) species.
Authors of publication	Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Lloret, Francesc; Faus, Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1687 - 1695
a	21.5363 ± 0.0006 Å
b	25.9588 ± 0.0007 Å
c	19.9914 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11176.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1847
Weighted residual factors for all reflections included in the refinement	0.2108
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022056.cif
89957	2013-11-17	cif/ Adding structures of 7022055, 7022056 via cif-deposit CGI script.	7022056.cif