Crystallography Open Database

Information card for entry 7711475

Preview

Coordinates	7711475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Mn O9
Calculated formula	C22 H20 Mn O9
Title of publication	Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity
Authors of publication	Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita
Journal of publication	Dalton Transactions
Year of publication	2022
a	33.7912 ± 0.0009 Å
b	13.3987 ± 0.0003 Å
c	18.5028 ± 0.0005 Å
α	90°
β	96.34 ± 0.0008°
γ	90°
Cell volume	8326.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0934
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
278572 (current)	2022-10-14	cif/ Adding structures of 7711472, 7711473, 7711474, 7711475, 7711476 via cif-deposit CGI script.	7711475.cif