Crystallography Open Database

Information card for entry 7133816

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Coordinates	7133816.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cr7Ni(O2CBu)16][Cu2(O2CBu)4]2(N5O4C26H24)
Formula	C178 H302.48 Cr7 Cu4 F8 N6 Ni O59.88
Calculated formula	C178 H302.476 Cr7 Cu4 F8 N6 Ni O59.875
Title of publication	One-, two- and three-dimensional interlocked polymers based on hybrid inorganic-organic rotaxanes.
Authors of publication	Lockyer, Selena J.; Whitehead, George F. S.; Timco, Grigore A.; McInnes, Eric J. L.; Winpenny, Richard E. P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	74
Pages of publication	10124 - 10127
a	35.2731 ± 0.0004 Å
b	16.6464 ± 0.0002 Å
c	37.7375 ± 0.0005 Å
α	90°
β	94.682 ± 0.001°
γ	90°
Cell volume	22084.4 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2109
Weighted residual factors for all reflections included in the refinement	0.2267
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
295032 (current)	2024-10-04	cif/ Adding structures of 7133814, 7133815, 7133816 via cif-deposit CGI script.	7133816.cif