Crystallography Open Database

Information card for entry 4102665

Preview

Coordinates	4102665.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis-(meso-aryldibenzodipyrrin) Zn
Formula	C40 H40 N4 O4 Zn
Calculated formula	C35 H35 N2 O6 Zn0.5
Title of publication	π-Extended Dipyrrins Capable of Highly Fluorogenic Complexation with Metal Ions
Authors of publication	Mikhail A. Filatov; Artem Y. Lebedev; Sergei N. Mukhin; Sergei A. Vinogradov; Andrei V. Cheprakov
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	9552 - 9554
a	13.603 ± 0.018 Å
b	26.57 ± 0.03 Å
c	17.956 ± 0.018 Å
α	90°
β	111.14 ± 0.03°
γ	90°
Cell volume	6053 ± 12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1503
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	0.599
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102665.html