Crystallography Open Database

Information card for entry 7715330

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Coordinates	7715330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H58 N12 O2
Calculated formula	C58 H58 N12 O2
Title of publication	Programming heterometallic 4f-4f' helicates under thermodynamic control: the circle is complete.
Authors of publication	Egger, Charlotte; Guénée, Laure; Deorukhkar, Neel; Piguet, Claude
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	13
Pages of publication	6050 - 6062
a	37.7381 ± 0.0005 Å
b	6.47585 ± 0.00009 Å
c	42.634 ± 0.0007 Å
α	90°
β	108.035 ± 0.0017°
γ	90°
Cell volume	9907.3 ± 0.3 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2156
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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

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