Crystallography Open Database

Information card for entry 7705751

Preview

Coordinates	7705751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 F3 Ir N2 O5 S Si2
Calculated formula	C25 H40 F3 Ir N2 O5 S Si2
Title of publication	2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.
Authors of publication	Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	48
Pages of publication	17665 - 17673
a	10.4264 ± 0.0006 Å
b	16.6127 ± 0.0009 Å
c	18.0892 ± 0.001 Å
α	90°
β	90.609 ± 0.001°
γ	90°
Cell volume	3133.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0378
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0581
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260770 (current)	2021-01-07	cif/ Updating files of 7705749, 7705750, 7705751 Original log message: Adding full bibliography for 7705749--7705751.cif.	7705751.cif
259389	2020-12-01	cif/ Adding structures of 7705749, 7705750, 7705751 via cif-deposit CGI script.	7705751.cif