Crystallography Open Database

Information card for entry 8106701

Preview

Coordinates	8106701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Br8 Mn4 O16
Calculated formula	C40 H40 Br8 Mn4 O16
Title of publication	Synthesis and crystal structure of tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dibromo-2-oxidophenyl)propane-1,3-bis(olato)-κ5 O 1,O 2,O 3:O 3,O 4,O 5)tetramanganese(III), C40H40Br8Mn4O16
Authors of publication	Zhao, Ji-Xing; Zhao, Li; Li, Peng-Peng; Zhu, Zhao-Bin; An, Qin-Qin; Wang, Fei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	855 - 857
a	9.3446 ± 0.0011 Å
b	11.6799 ± 0.0011 Å
c	12.5833 ± 0.0016 Å
α	70.937 ± 0.01°
β	76.049 ± 0.011°
γ	80.984 ± 0.009°
Cell volume	1255.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1211
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
280801 (current)	2023-02-07	cif/ Adding structures of 8106701 via cif-deposit CGI script.	8106701.cif