Crystallography Open Database

Information card for entry 7045117

Preview

Coordinates	7045117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H50 Cr Cu2 Mn2 N10 O15
Calculated formula	C45 H50 Cr Cu2 Mn2 N10 O15
Title of publication	Three different types of bridging ligands in a 3d-3d'-3d'' heterotrimetallic chain.
Authors of publication	Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Andruh, Marius; Lloret, Francesc; Cano, Joan; Julve, Miguel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	4
Pages of publication	1010 - 1013
a	12.6009 ± 0.0006 Å
b	13.4206 ± 0.001 Å
c	18.293 ± 0.001 Å
α	101.278 ± 0.005°
β	99.831 ± 0.005°
γ	114.139 ± 0.006°
Cell volume	2657.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation probe	x-ray
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
229531 (current)	2019-11-17	cif/ Updating files of 7045117 Original log message: Adding full bibliography for 7045117.cif.	7045117.cif
204469	2017-12-22	cif/ Adding structures of 7045117 via cif-deposit CGI script.	7045117.cif