Crystallography Open Database

Information card for entry 4088461

Preview

Coordinates	4088461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H79 Cl N P2 Rh
Calculated formula	C53 H79 Cl N P2 Rh
SMILES	[Rh]12([P](=Cc3[n]2c(C=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)ccc3)c1c2c(cc3c1C(CC3(CC)CC)(CC)CC)C(CC2(CC)CC)(CC)CC)Cl
Title of publication	Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes
Authors of publication	Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1526
a	14.904 ± 0.004 Å
b	17.034 ± 0.005 Å
c	19.351 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4913 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
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	0.1108
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1918
Weighted residual factors for all reflections included in the refinement	0.2333
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237594 (current)	2019-11-24	cif/ Adding structures of 4088461, 4088462, 4088463, 4088464, 4088465 via cif-deposit CGI script.	4088461.cif