Crystallography Open Database

Information card for entry 4064395

Preview

Coordinates	4064395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 Br4 Cl4 F6 N6 P Re
Calculated formula	C40 H28 Br4 Cl4 F5.96 N6 P Re
Title of publication	Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes
Authors of publication	Ko, Chi-Chiu; Siu, Jacky Wai-Kit; Cheung, Apple Wai-Yi; Yiu, Shek-Man
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	10
Pages of publication	2701
a	12.26435 ± 0.00014 Å
b	16.62923 ± 0.00015 Å
c	22.6489 ± 0.0002 Å
α	90°
β	90.3256 ± 0.0009°
γ	90°
Cell volume	4619.09 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.043
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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