Crystallography Open Database

Information card for entry 7104558

Preview

Coordinates	7104558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H30 N4 O10 Re2
Calculated formula	C49.5 H30 N4 O10 Re2
Title of publication	Neutral metallacyclic rotors.
Authors of publication	Sathiyendiran, Malaichamy; Wu, Jing-Yun; Velayudham, Murugesan; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	25
Pages of publication	3795 - 3797
a	9.9194 ± 0.0003 Å
b	21.3024 ± 0.0008 Å
c	21.7617 ± 0.0008 Å
α	90°
β	96.463 ± 0.001°
γ	90°
Cell volume	4569.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0369
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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