Crystallography Open Database

Information card for entry 7048471

Preview

Coordinates	7048471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H34 Cl4 Dy0.5 N6 O2
Calculated formula	C94 H34 Cl4 Dy0.5 N6 O2
Title of publication	Magnetic investigations over reversibly switched chiral (phthalocyaninato)(porphyrinato) dysprosium double-decker compounds.
Authors of publication	Sun, Nana; Wang, Hailong; Liu, Tao; Qi, Dongdong; Jiang, Jianzhuang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1586 - 1590
a	21.7576 ± 0.0004 Å
b	21.4063 ± 0.0005 Å
c	15.2756 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7114.6 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
224008 (current)	2019-11-07	cif/ Updating files of 7048469, 7048470, 7048471 Original log message: Adding full bibliography for 7048469--7048471.cif.	7048471.cif
212942	2019-01-11	cif/ Adding structures of 7048469, 7048470, 7048471 via cif-deposit CGI script.	7048471.cif