Crystallography Open Database

Information card for entry 4107080

Preview

Coordinates	4107080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.5 H37 Cl7 O Os P2
Calculated formula	C43.5 H37 Cl7 O Os P2
Title of publication	Electrophilic Substitution Reactions of Metallabenzynes
Authors of publication	Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	18350 - 18360
a	21.2492 ± 0.001 Å
b	10.049 ± 0.0005 Å
c	39.926 ± 0.002 Å
α	90°
β	99.803 ± 0.001°
γ	90°
Cell volume	8401 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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