Crystallography Open Database

Information card for entry 7711473

Preview

Coordinates	7711473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Mn O8
Calculated formula	C22 H18 Mn O8
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	5.0191 ± 0.0013 Å
b	12.438 ± 0.004 Å
c	15.964 ± 0.004 Å
α	90°
β	98.678 ± 0.007°
γ	90°
Cell volume	985.2 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
278572 (current)	2022-10-14	cif/ Adding structures of 7711472, 7711473, 7711474, 7711475, 7711476 via cif-deposit CGI script.	7711473.cif