Crystallography Open Database

Information card for entry 7040744

Preview

Coordinates	7040744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H54 B Cl2 F24 Ir N3 P
Calculated formula	C71 H54 B Cl2 F24 Ir N3 P
Title of publication	Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands.
Authors of publication	Sánchez, Práxedes; Hernández-Juárez, Martín; Álvarez, Eleuterio; Paneque, Margarita; Rendón, Nuria; Suárez, Andrés
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	42
Pages of publication	16997 - 17009
a	12.672 ± 0.0003 Å
b	15.6405 ± 0.0003 Å
c	18.3012 ± 0.0003 Å
α	102.591 ± 0.001°
β	90.394 ± 0.001°
γ	100.262 ± 0.001°
Cell volume	3479.42 ± 0.12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
188238 (current)	2016-11-08	cif/ Updating files of 7040742, 7040743, 7040744, 7040745 Original log message: Adding full bibliography for 7040742--7040745.cif.	7040744.cif
186814	2016-09-28	cif/ Adding structures of 7040742, 7040743, 7040744, 7040745 via cif-deposit CGI script.	7040744.cif