Crystallography Open Database

Information card for entry 7230920

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Coordinates	7230920.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl
Formula	C15 H12 N3 O7 Re
Calculated formula	C15 H12 N3 O7 Re
Title of publication	Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography
Authors of publication	Hatcher, Lauren E.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5990
a	22.6151 ± 0.0005 Å
b	22.6151 ± 0.0005 Å
c	6.5646 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3357.42 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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