Crystallography Open Database

Information card for entry 7062988

Preview

Coordinates	7062988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N7 O2
Calculated formula	C23 H19 N7 O2
Title of publication	Synthesis and characterization of C2-symmetric bis(carboxamide) pincer ligands
Authors of publication	Razuwika, Rufaro; Munro, Orde Q.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	10
Pages of publication	4229 - 4244
a	10.422 ± 0.0002 Å
b	11.8014 ± 0.0003 Å
c	8.6298 ± 0.0002 Å
α	90°
β	112.076 ± 0.001°
γ	90°
Cell volume	983.6 ± 0.04 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.0941
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/7062988.html