Crystallography Open Database

Information card for entry 7711778

Preview

Coordinates	7711778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H68 Cl4 Ho N5 O8
Calculated formula	C52 H56 Cl4 Ho N5 O4
Title of publication	Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties
Authors of publication	Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger
Journal of publication	Dalton Transactions
Year of publication	2022
a	22.4676 ± 0.0003 Å
b	22.5189 ± 0.0002 Å
c	22.72 ± 0.0003 Å
α	90°
β	107.882 ± 0.002°
γ	90°
Cell volume	10939.8 ± 0.3 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279302 (current)	2022-11-16	cif/ Adding structures of 7711772, 7711773, 7711774, 7711775, 7711776, 7711777, 7711778, 7711779 via cif-deposit CGI script.	7711778.cif