Crystallography Open Database

Information card for entry 1573818

Preview

Coordinates	1573818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H48 Br3 N25 Ni3 O6
Calculated formula	C76 H48 Br3 N25 Ni3 O6.00015
Title of publication	Pentanuclear Nickel(II) Complex with two Vertex-Shared Triaminoguanidine Fragments and Symmetric Capping Ligand
Authors of publication	Michael Böhme; Adrian E. Ion; Benjamin Kintzel; Axel Buchholz; Helmar Görls; Winfried Plass
Journal of publication	Zeitschrift fuer Anorganische und Allgemeine Chemie
Year of publication	2020
Journal volume	646
Journal issue	13
Pages of publication	999 - 1009
a	22.1327 ± 0.0005 Å
b	22.1327 ± 0.0005 Å
c	65.0522 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	27597 ± 1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
297545 (current)	2025-01-31	cif/ Adding structures of 1573818, 1573819 via cif-deposit CGI script.	1573818.cif