Crystallography Open Database

Information card for entry 7713065

Preview

Coordinates	7713065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H196 Cr9 F12 N O37 Zn
Calculated formula	C107 H196 Cr9 F12 N O37 Zn
Title of publication	Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.
Authors of publication	Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	35.7225 ± 0.0007 Å
b	17.1341 ± 0.0003 Å
c	23.7329 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	14526.3 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
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
283840 (current)	2023-05-18	cif/ Adding structures of 7713059, 7713060, 7713061, 7713062, 7713063, 7713064, 7713065 via cif-deposit CGI script.	7713065.cif