Crystallography Open Database

Information card for entry 4071461

Preview

Coordinates	4071461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 Br Cl3 N2 O5 Re S4
Calculated formula	C35 H27 Br Cl3 N2 O5 Re S4
Title of publication	Rhenium(I) Tricarbonyl Complexes with New Pyridine Ligands Containing Crown Ether-Annelated or Anthracene-Functionalized 1,3-Dithiole-2-ylidene
Authors of publication	Liu, Wei; Chen, Ya; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	2990
a	22.257 ± 0.016 Å
b	13.58 ± 0.01 Å
c	26.61 ± 0.02 Å
α	90°
β	95.969 ± 0.015°
γ	90°
Cell volume	7999 ± 10 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	8
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	0.0609
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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