Crystallography Open Database

Information card for entry 1552468

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Coordinates	1552468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H108 Cu F3 N2 O3 P6 S
Calculated formula	C64 H108 Cu F3 N2 O3 P6 S
SMILES	C1(CCCCC1)[P]1(C2CCCCC2)P(P(C2CCCCC2)C2CCCCC2)c2[n](cccc2)[Cu]21[n]1c(P([P]2(C2CCCCC2)C2CCCCC2)P(C2CCCCC2)C2CCCCC2)cccc1.FC(F)(F)S(=O)(=O)[O-].CCCCC
Title of publication	Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
Authors of publication	Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.
Journal of publication	Chemical Science
Year of publication	2019
a	10.16325 ± 0.0001 Å
b	25.899 ± 0.0002 Å
c	26.5556 ± 0.0003 Å
α	90°
β	99.3487 ± 0.001°
γ	90°
Cell volume	6897.07 ± 0.12 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 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	0.0546
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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

Version history

Revision	Date	Message	Files
219502 (current)	2019-10-25	cif/ Adding structures of 1552459, 1552460, 1552461, 1552462, 1552463, 1552464, 1552465, 1552466, 1552467, 1552468, 1552469, 1552470, 1552471, 1552472, 1552473, 1552474, 1552475, 1552476 via cif-deposit CGI script.	1552468.cif