Crystallography Open Database

Information card for entry 7045836

Preview

Coordinates	7045836.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(1,1'-ferrocenyldiselenolato)bis{bis(cyclopentadienyl)hafnium}
Formula	C41.91 H39.81 Cl3.81 Fe2 Hf2 Se4
Calculated formula	C41.905 H39.81 Cl3.81 Fe2 Hf2 Se4
Title of publication	Macrocycles containing 1,1'-ferrocenyldiselenolato ligands on group 4 metallocenes.
Authors of publication	Sanchez-Perez, Clara; Knapp, Caroline E.; Karjalainen, Minna M.; Oilunkaniemi, Raija; Carmalt, Claire J.; Laitinen, Risto S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	15
Pages of publication	5415 - 5421
a	11.648 ± 0.002 Å
b	23.329 ± 0.005 Å
c	15.788 ± 0.003 Å
α	90°
β	94.37 ± 0.03°
γ	90°
Cell volume	4277.7 ± 1.4 Å³
Cell temperature	155 ± 2 K
Ambient diffraction temperature	155 ± 2 K
Number of distinct elements	6
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	0.0344
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
229858 (current)	2019-11-17	cif/ Updating files of 7045833, 7045834, 7045835, 7045836 Original log message: Adding full bibliography for 7045833--7045836.cif.	7045836.cif
206917	2018-03-13	cif/ Adding structures of 7045833, 7045834, 7045835, 7045836 via cif-deposit CGI script.	7045836.cif