Crystallography Open Database

Information card for entry 7129210

Preview

Coordinates	7129210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107.75 H145.85 Mn23 N13.25 O68.05
Calculated formula	C107.75 H130 Mn23 N13.25 O68.05
Title of publication	High nuclearity structurally – related Mn supertetrahedral T4 aggregates
Authors of publication	Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.
Journal of publication	Chemical Communications
Year of publication	2021
a	42.7113 ± 0.0009 Å
b	42.7113 ± 0.0009 Å
c	58.4319 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	92314 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.2171
Weighted residual factors for all reflections included in the refinement	0.2433
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
270528 (current)	2021-11-09	cif/ Adding structures of 7129210, 7129211, 7129212 via cif-deposit CGI script.	7129210.cif