Crystallography Open Database

Information card for entry 7708005

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Coordinates	7708005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H122 Cu4 N8 O21
Calculated formula	C86 H122 Cu4 N8 O21
Title of publication	Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.
Authors of publication	Devonport, Jack; Spencer, John; Kostakis, George E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	35
Pages of publication	12069 - 12073
a	24.19436 ± 0.00019 Å
b	14.08347 ± 0.00011 Å
c	25.8393 ± 0.0003 Å
α	90°
β	96.7456 ± 0.0008°
γ	90°
Cell volume	8743.55 ± 0.14 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.0714
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1919
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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