Crystallography Open Database

Information card for entry 7045835

Preview

Coordinates	7045835.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(1,1'-ferrocenyldiselenolato)bis{bis(tert-butylcyclopentadienyl)hafnium}
Formula	C56 H68 Fe2 Hf2 Se4
Calculated formula	C56 H68 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	13.866 ± 0.003 Å
b	20.452 ± 0.004 Å
c	18.464 ± 0.004 Å
α	90°
β	90.62 ± 0.03°
γ	90°
Cell volume	5235.9 ± 1.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0718
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
229858 (current)	2019-11-17	cif/ Updating files of 7045833, 7045834, 7045835, 7045836 Original log message: Adding full bibliography for 7045833--7045836.cif.	7045835.cif
206917	2018-03-13	cif/ Adding structures of 7045833, 7045834, 7045835, 7045836 via cif-deposit CGI script.	7045835.cif