Crystallography Open Database

Information card for entry 1552469

Preview

Coordinates	1552469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H21 Cl N5 P5 S5
Calculated formula	C35.5 H21 Cl N5 P5 S5
SMILES	c1(nc2c(s1)cccc2)P1P(c2nc3c(s2)cccc3)P(P(c2nc3c(s2)cccc3)P1c1nc2c(s1)cccc2)c1nc2c(s1)cccc2.ClCCl
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	10.2485 ± 0.0003 Å
b	12.3713 ± 0.0003 Å
c	15.6969 ± 0.0004 Å
α	112.462 ± 0.002°
β	90.355 ± 0.002°
γ	99.439 ± 0.002°
Cell volume	1809.1 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0883
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.	1552469.cif