Crystallography Open Database

Information card for entry 7038470

Preview

Coordinates	7038470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 Cl7 Ir O P2 Si
Calculated formula	C39 H32 Cl7 Ir O P2 Si
Title of publication	Experimental and theoretical studies of Si-Cl and Ge-Cl σ-bond activation reactions by iridium-hydride.
Authors of publication	Kameo, H.; Ikeda, K.; Sakaki, S.; Takemoto, S.; Nakazawa, H.; Matsuzaka, H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	18
Pages of publication	7570 - 7580
a	10.2652 ± 0.0002 Å
b	15.8355 ± 0.0003 Å
c	25.8307 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4198.9 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
182667 (current)	2016-05-06	cif/ Updating files of 7038470, 7038471 Original log message: Adding full bibliography for 7038470--7038471.cif.	7038470.cif
176781	2016-02-20	cif/ Adding structures of 7038470, 7038471 via cif-deposit CGI script.	7038470.cif