Crystallography Open Database

Information card for entry 1575226

Preview

Coordinates	1575226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H78 Ba Fe2 O6 P10
Calculated formula	C42 H74 Ba Fe2 O5.5 P10
Title of publication	A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.
Authors of publication	Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	34
Pages of publication	15446 - 15454
a	27.7184 ± 0.0007 Å
b	40.4538 ± 0.0012 Å
c	20.3254 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	22791.2 ± 1 Å³
Cell temperature	133 ± 0.1 K
Ambient diffraction temperature	133.15 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1214
Residual factor for significantly intense reflections	0.1004
Weighted residual factors for significantly intense reflections	0.2664
Weighted residual factors for all reflections included in the refinement	0.2853
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
302543 (current)	2025-10-06	cif/ Updating files of 1575224, 1575225, 1575226, 1575227, 1575228, 1575229, 1575230 Original log message: Adding full bibliography for 1575224--1575230.cif.	1575226.cif
301354	2025-07-25	cif/ Adding structures of 1575224, 1575225, 1575226, 1575227, 1575228, 1575229, 1575230 via cif-deposit CGI script.	1575226.cif