Crystallography Open Database

Information card for entry 7716634

Preview

Coordinates	7716634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H110 N6 Sm3
Calculated formula	C91 H110 N6 Sm3
Title of publication	Reduction of hexaazatrinaphthylenes by divalent lanthanocenes leads to ligand-based multiconfigurational properties.
Authors of publication	Temple, Siobhan R.; Tang, Jinkui; Tizzard, Graham J.; Mansikkamäki, Akseli; Layfield, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	30
Pages of publication	12460 - 12464
a	17.9992 ± 0.0002 Å
b	23.85 ± 0.0002 Å
c	18.1211 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	7779.04 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293859 (current)	2024-08-05	cif/ Updating files of 7716633, 7716634, 7716635, 7716636 Original log message: Adding full bibliography for 7716633--7716636.cif.	7716634.cif
293398	2024-07-13	cif/ Adding structures of 7716633, 7716634, 7716635, 7716636 via cif-deposit CGI script.	7716634.cif