Crystallography Open Database

Information card for entry 4082605

Preview

Coordinates	4082605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39 N12 O9 Re3
Calculated formula	C51 H39 N12 O9 Re3
Title of publication	A Molecular Triangle as a Precursor Toward the Assembly of a Jar-Shaped Metallasupramolecule
Authors of publication	Lin, Shih-Ming; Velayudham, Murugesan; Tsai, Chi-Hwe; Chang, Che-Hao; Lee, Chung-Chou; Luo, Tzuoo-Tsair; Thanasekaran, Pounraj; Lu, Kuang-Lieh
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	1
Pages of publication	40
a	15.7152 ± 0.0003 Å
b	19.7722 ± 0.0004 Å
c	20.2242 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6284.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1211
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1996
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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