Crystallography Open Database

Information card for entry 7127616

Preview

Coordinates	7127616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 P
Calculated formula	C14 H17 P
Title of publication	Low-spin 1,1'-diphosphametallocenates of chromium and iron.
Authors of publication	Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	5
Pages of publication	595 - 598
a	8.0727 ± 0.0002 Å
b	8.74422 ± 0.00019 Å
c	18.4065 ± 0.0004 Å
α	103.174 ± 0.0017°
β	92.6248 ± 0.0019°
γ	100.705 ± 0.002°
Cell volume	1237.81 ± 0.05 Å³
Cell temperature	150 ± 0.01 K
Ambient diffraction temperature	150 ± 0.01 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261536 (current)	2021-02-05	cif/ Updating files of 7127612, 7127613, 7127614, 7127615, 7127616, 7127617, 7127618, 7127619 Original log message: Adding full bibliography for 7127612--7127619.cif.	7127616.cif
259968	2020-12-19	cif/ Adding structures of 7127612, 7127613, 7127614, 7127615, 7127616, 7127617, 7127618, 7127619 via cif-deposit CGI script.	7127616.cif