Crystallography Open Database

Information card for entry 7045833

Preview

Coordinates	7045833.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(1,1'-ferrocenyldiselenolato)bis{bis(cyclopentadienyl)titanium}
Formula	C57 H52.5 Fe2 Se4 Ti2
Calculated formula	C57 H52.5 Fe2 Se4 Ti2
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	11.413 ± 0.002 Å
b	14.514 ± 0.003 Å
c	15.645 ± 0.003 Å
α	96.9 ± 0.03°
β	101.22 ± 0.03°
γ	90.15 ± 0.03°
Cell volume	2522.7 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7045833.cif
206917	2018-03-13	cif/ Adding structures of 7045833, 7045834, 7045835, 7045836 via cif-deposit CGI script.	7045833.cif