Crystallography Open Database

Information card for entry 7040745

Preview

Coordinates	7040745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 Cl5 Ir N3 P
Calculated formula	C33 H36 Cl5 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	11.7851 ± 0.0006 Å
b	14.3274 ± 0.0007 Å
c	41.473 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7002.7 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.409
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.	7040745.cif
186814	2016-09-28	cif/ Adding structures of 7040742, 7040743, 7040744, 7040745 via cif-deposit CGI script.	7040745.cif