Crystallography Open Database

Information card for entry 1568634

Preview

Coordinates	1568634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 Br2 Fe P5
Calculated formula	C16 H27 Br2 Fe P5
Title of publication	Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
Authors of publication	Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	14
Pages of publication	3834 - 3838
a	13.3548 ± 0.0001 Å
b	14.7155 ± 0.0001 Å
c	11.9066 ± 0.0001 Å
α	90°
β	105.491 ± 0.001°
γ	90°
Cell volume	2254.91 ± 0.03 Å³
Cell temperature	123.2 ± 0.3 K
Ambient diffraction temperature	123.2 ± 0.3 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.39222 Å
Diffraction radiation type	CuKβ
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283177 (current)	2023-05-05	cif/ Updating files of 1568634, 1568635, 1568636, 1568637, 1568638, 1568639, 1568640, 1568641, 1568642, 1568643 Original log message: Adding full bibliography for 1568634--1568643.cif.	1568634.cif
281848	2023-03-14	cif/ Adding structures of 1568634, 1568635, 1568636, 1568637, 1568638, 1568639, 1568640, 1568641, 1568642, 1568643 via cif-deposit CGI script.	1568634.cif