Crystallography Open Database

Information card for entry 1552467

Preview

Coordinates	1552467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.93 H113.69 Br2 Cu2 N2 O0.82 P6
Calculated formula	C65.923 H113.692 Br2 Cu2 N2 O0.827 P6
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	10.85215 ± 0.00011 Å
b	17.65905 ± 0.00019 Å
c	19.63512 ± 0.00016 Å
α	102.476 ± 0.0008°
β	101.644 ± 0.0008°
γ	98.8895 ± 0.0009°
Cell volume	3520.32 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	1552467.cif