Crystallography Open Database

Information card for entry 7039667

Preview

Coordinates	7039667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H230 B4 Cl4 Ir4 N8 P8
Calculated formula	C130 H230 B4 Cl4 Ir4 N8 P8
Title of publication	A long-tethered (P-B-P)-pincer ligand: synthesis, complexation, and application to catalytic dehydrogenation of alkanes.
Authors of publication	Kwan, Enrique Huang; Kawai, Yasushi Jack; Kamakura, Sei; Yamashita, Makoto
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	40
Pages of publication	15931 - 15941
a	9.369 ± 0.003 Å
b	21.885 ± 0.006 Å
c	33.532 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	6875 ± 3 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
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	0.0611
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
188205 (current)	2016-11-08	cif/ Updating files of 7039667, 7039668 Original log message: Adding full bibliography for 7039667--7039668.cif.	7039667.cif
183924	2016-06-25	cif/ Adding structures of 7039667, 7039668 via cif-deposit CGI script.	7039667.cif