Crystallography Open Database

Information card for entry 7706490

Preview

Coordinates	7706490.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Re(Si[PhC(NtBu)2])(η5-Cp)(BDI)
Formula	C54 H81 N4 Re Si
Calculated formula	C54 H81 N4 Re Si
Title of publication	σ or π? Bonding interactions in a series of rhenium metallotetrylenes.
Authors of publication	Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	2083 - 2092
a	9.3802 ± 0.0003 Å
b	12.9055 ± 0.0004 Å
c	21.1791 ± 0.0005 Å
α	96.261 ± 0.002°
β	92.718 ± 0.002°
γ	102.594 ± 0.003°
Cell volume	2480.54 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0398
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
262643 (current)	2021-03-05	cif/ Updating files of 7706490, 7706491, 7706492, 7706493, 7706494, 7706495 Original log message: Adding full bibliography for 7706490--7706495.cif.	7706490.cif
261180	2021-01-24	cif/ Adding structures of 7706490, 7706491, 7706492, 7706493, 7706494, 7706495 via cif-deposit CGI script.	7706490.cif