Crystallography Open Database

Information card for entry 7038471

Preview

Coordinates	7038471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 Cl5 Ge Ir O P2
Calculated formula	C38 H30 Cl5 Ge Ir O P2
SMILES	[Ir]12([Ge](Cl)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)(Cl)(Cl)C#[O].C(Cl)Cl
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	18.3353 ± 0.0009 Å
b	22.648 ± 0.0009 Å
c	18.5245 ± 0.0009 Å
α	90°
β	100.286 ± 0.002°
γ	90°
Cell volume	7568.8 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7038471.cif
176781	2016-02-20	cif/ Adding structures of 7038470, 7038471 via cif-deposit CGI script.	7038471.cif