Crystallography Open Database

Information card for entry 7060435

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Coordinates	7060435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 B Cu F4 N8 Se4
Calculated formula	C44 H52 B Cu F4 N8 Se4
Title of publication	Rare proximity enforced copper hydrogen interactions in copper(i)-chalcogenones
Authors of publication	Mannarsamy, Maruthupandi; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	13
Pages of publication	5933 - 5938
a	33.4425 ± 0.0004 Å
b	13.3162 ± 0.0002 Å
c	22.4856 ± 0.0003 Å
α	90°
β	91.9405 ± 0.0011°
γ	90°
Cell volume	10007.7 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
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	0.0539
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.0112
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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