Crystallography Open Database

Information card for entry 4088438

Preview

Coordinates	4088438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H54 Cl5 O Os P3 S
Calculated formula	C62.5 H54 Cl5 O Os P3 S
Title of publication	Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes
Authors of publication	Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1497
a	13.178 ± 0.0003 Å
b	21.3377 ± 0.0003 Å
c	21.0918 ± 0.0004 Å
α	90°
β	102.265 ± 0.002°
γ	90°
Cell volume	5795.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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