Crystallography Open Database

Information card for entry 7702937

Preview

Coordinates	7702937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cl2 Cu N6 O8
Calculated formula	C36 H28 Cl2 Cu N6 O8
Title of publication	Copper-based redox shuttles supported by preorganized tetradentate ligands for dye-sensitized solar cells.
Authors of publication	Rodrigues, Roberta R.; Lee, Joseph M.; Taylor, Natalie S.; Cheema, Hammad; Chen, Lizhu; Fortenberry, Ryan C.; Delcamp, Jared H.; Jurss, Jonah W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	2
Pages of publication	343 - 355
a	9.1754 ± 0.0005 Å
b	13.2338 ± 0.0014 Å
c	14.3608 ± 0.0014 Å
α	91.0207 ± 0.0017°
β	91.024 ± 0.002°
γ	91.5876 ± 0.0016°
Cell volume	1742.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
247726 (current)	2020-02-04	cif/ Updating files of 7702937 Original log message: Adding full bibliography for 7702937.cif.	7702937.cif
244873	2019-12-03	cif/ Adding structures of 7702937 via cif-deposit CGI script.	7702937.cif