Crystallography Open Database

Information card for entry 7708546

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Coordinates	7708546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Cl4 N4 O3 Re
Calculated formula	C27 H25 Cl4 N4 O3 Re
Title of publication	Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified structure and steric hindrance to modulate the photoluminescence properties.
Authors of publication	Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Leygue, Nadine; Saffon-Merceron, Nathalie; Alary, Fabienne; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	16.9598 ± 0.0009 Å
b	10.7879 ± 0.0005 Å
c	17.1754 ± 0.0008 Å
α	90°
β	112.354 ± 0.0018°
γ	90°
Cell volume	2906.3 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269903 (current)	2021-10-13	cif/ Adding structures of 7708544, 7708545, 7708546 via cif-deposit CGI script.	7708546.cif