Crystallography Open Database

Information card for entry 7127619

Preview

Coordinates	7127619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Zr
Calculated formula	C18 H22 Zr
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	14.1554 ± 0.0008 Å
b	9.6976 ± 0.0004 Å
c	12.0182 ± 0.0006 Å
α	90°
β	112.336 ± 0.006°
γ	90°
Cell volume	1526 ± 0.15 Å³
Cell temperature	150 ± 0.3 K
Ambient diffraction temperature	150 ± 0.3 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7127619.cif
259968	2020-12-19	cif/ Adding structures of 7127612, 7127613, 7127614, 7127615, 7127616, 7127617, 7127618, 7127619 via cif-deposit CGI script.	7127619.cif