Crystallography Open Database

Information card for entry 4073253

Preview

Coordinates	4073253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H57.5 Cl3 O3.25 P4 Ru
Calculated formula	C47 H57.5 Cl3 O3.25 P4 Ru
Title of publication	Synthesis and Characterization of Stable Ruthenabenzenes Starting from HC⋮CCH(OH)C⋮CH
Authors of publication	Zhang, Hong; Feng, Li; Gong, Lei; Wu, Liqiong; He, Guomei; Wen, Tingbin; Yang, Fangzu; Xia, Haiping
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	10
Pages of publication	2705
a	11.776 ± 0.003 Å
b	20.801 ± 0.006 Å
c	20.544 ± 0.006 Å
α	90°
β	105.677 ± 0.005°
γ	90°
Cell volume	4845 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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