Crystallography Open Database

Information card for entry 7134708

Preview

Coordinates	7134708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H160 Cr7 F8 N Ni O32
Calculated formula	C86 H156 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 E.; Winpenny, Richard E. P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	59
Pages of publication	11049 - 11052
a	19.1697 ± 0.0005 Å
b	29.3283 ± 0.0008 Å
c	20.8382 ± 0.0007 Å
α	90°
β	104.138 ± 0.003°
γ	90°
Cell volume	11360.7 ± 0.6 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1629
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2708
Weighted residual factors for all reflections included in the refinement	0.3357
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
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
301511 (current)	2025-08-05	cif/ Updating files of 7134703, 7134704, 7134705, 7134706, 7134707, 7134708, 7134709 Original log message: Adding full bibliography for 7134703--7134709.cif.	7134708.cif
300050	2025-06-12	cif/ Adding structures of 7134703, 7134704, 7134705, 7134706, 7134707, 7134708, 7134709 via cif-deposit CGI script.	7134708.cif