Crystallography Open Database

Information card for entry 4085391

Preview

Coordinates	4085391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.5 H42 N3 O15 Re3 S3
Calculated formula	C58.5 H42 N3 O15 Re3 S3
Title of publication	Multicomponent Self-Assembly of Thiolato- and Selenato-Bridged Ester-Functionalized Rhenium(I)-Based Trigonal Metallaprisms: Synthesis and Structural Characterization
Authors of publication	Nagarajaprakash, R.; Ashok Kumar, Chowan; Mobin, Shaikh M.; Manimaran, Bala.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	4
Pages of publication	724
a	10.6581 ± 0.0002 Å
b	35.7402 ± 0.0006 Å
c	30.3489 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	11560.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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