Crystallography Open Database

Information card for entry 7134709

Preview

Coordinates	7134709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H188 Cr7 F8 N Ni O32
Calculated formula	C102 H188 Cr7 F8 N Ni O32
Title of publication	Energetics of Carboxylate-Metal Bonds in Polymetallic Rings
Authors of publication	Geue, Niklas; Renningholtz, Tim; Whitehead, George F. S.; Timco, Grigore A.; Trujillo, Cristina; Barran, Perdita; Winpenny, Richard E. P.
Journal of publication	Chemical Communications
Year of publication	2025
a	19.0912 ± 0.0004 Å
b	22.0288 ± 0.0004 Å
c	30.5452 ± 0.0005 Å
α	90.1198 ± 0.0015°
β	90.1205 ± 0.0015°
γ	106.277 ± 0.0017°
Cell volume	12331 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1679
Residual factor for significantly intense reflections	0.1397
Weighted residual factors for significantly intense reflections	0.3853
Weighted residual factors for all reflections included in the refinement	0.4002
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300050 (current)	2025-06-12	cif/ Adding structures of 7134703, 7134704, 7134705, 7134706, 7134707, 7134708, 7134709 via cif-deposit CGI script.	7134709.cif