Crystallography Open Database

Information card for entry 7059013

Preview

Coordinates	7059013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 Cl Co2 N6 O11
Calculated formula	C44 H34 Cl Co2 N6 O11
Title of publication	Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII–CoIII 1D chains
Authors of publication	Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	47
Pages of publication	18780 - 18793
a	12.812 ± 0.002 Å
b	14.057 ± 0.003 Å
c	13.575 ± 0.003 Å
α	90°
β	114.454 ± 0.005°
γ	90°
Cell volume	2225.5 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7059013.cif
223441	2019-11-07	cif/ Adding structures of 7059011, 7059012, 7059013 via cif-deposit CGI script.	7059013.cif