Crystallography Open Database

Information card for entry 7241046

Preview

Coordinates	7241046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H76 Mn2 N2 O9
Calculated formula	C40 H76 Mn2 N2 O9
SMILES	[Mn]123([O](NC(=[O]1[Mn]14(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)([O]4CCCC4)[O](NC(=[O]31)C(C)(C)C)CC)C(C)(C)C)CC)OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C
Title of publication	Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials
Authors of publication	Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	50
Pages of publication	29659 - 29667
a	12.7642 ± 0.0005 Å
b	21.0617 ± 0.0009 Å
c	17.1722 ± 0.0008 Å
α	90°
β	90.417 ± 0.002°
γ	90°
Cell volume	4616.4 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.1058
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2545
Weighted residual factors for all reflections included in the refinement	0.2593
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
258071 (current)	2020-10-06	cif/ Updating files of 7241045, 7241046, 7241047, 7241048 Original log message: Adding full bibliography for 7241045--7241048.cif.	7241046.cif
255252	2020-08-12	cif/ Adding structures of 7241045, 7241046, 7241047, 7241048 via cif-deposit CGI script.	7241046.cif