Crystallography Open Database

Information card for entry 1568638

Preview

Coordinates	1568638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 Fe P5
Calculated formula	C16 H27 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	9.293 ± 0.0003 Å
b	14.8439 ± 0.0005 Å
c	14.4562 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1994.15 ± 0.12 Å³
Cell temperature	122.99 ± 0.1 K
Ambient diffraction temperature	122.99 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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
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.	1568638.cif
281848	2023-03-14	cif/ Adding structures of 1568634, 1568635, 1568636, 1568637, 1568638, 1568639, 1568640, 1568641, 1568642, 1568643 via cif-deposit CGI script.	1568638.cif