Crystallography Open Database

Information card for entry 7064335

Preview

Coordinates	7064335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Co N3 O5 S
Calculated formula	C25 H28 Co N3 O5 S
Title of publication	Chelate ligand-driven structural diversity and modeling studies on the phenoxazinone synthase-like activity of cobalt(iii) complexes
Authors of publication	Malik, Suvamoy; Jana, Narayan Ch.; Saren, Shibnath; Saha, Amrita
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	13
Pages of publication	5669 - 5678
a	12.0785 ± 0.0005 Å
b	14.3615 ± 0.0005 Å
c	14.9258 ± 0.0006 Å
α	90°
β	103.188 ± 0.004°
γ	90°
Cell volume	2520.83 ± 0.17 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.1673
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2069
Weighted residual factors for all reflections included in the refinement	0.2435
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
305419 (current)	2026-04-05	cif/ Updating files of 7064334, 7064335 Original log message: Adding full bibliography for 7064334--7064335.cif.	7064335.cif
304979	2026-03-06	cif/ Adding structures of 7064334, 7064335 via cif-deposit CGI script.	7064335.cif