Crystallography Open Database

Information card for entry 7045816

Preview

Coordinates	7045816.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(C5Me5)2Y(THF)NH3][BPh4]
Formula	C48 H61 B N O Y
Calculated formula	C48 H61 B N O Y
Title of publication	NH<sub>3</sub> and (NH<sub>2</sub>)<sup>1-</sup> as ligands in yttrium metallocene chemistry.
Authors of publication	Boshart, Monica D.; Ziller, Joseph W.; Evans, William J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	14
Pages of publication	5098 - 5101
a	11.7992 ± 0.0009 Å
b	22.579 ± 0.0018 Å
c	15.3847 ± 0.0012 Å
α	90°
β	91.7762 ± 0.001°
γ	90°
Cell volume	4096.7 ± 0.6 Å³
Cell temperature	128 ± 2 K
Ambient diffraction temperature	128 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229766 (current)	2019-11-17	cif/ Updating files of 7045815, 7045816 Original log message: Adding full bibliography for 7045815--7045816.cif.	7045816.cif
206853	2018-03-09	cif/ Adding structures of 7045815, 7045816 via cif-deposit CGI script.	7045816.cif