Crystallography Open Database

Information card for entry 8106228

Preview

Coordinates	8106228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Mn N4 O14
Calculated formula	C38 H42 Mn N4 O14
Title of publication	Crystal structure of catena-poly[diaqua-(μ2-3,5-bis(pyridin-4-ylmethoxy)benzoate-κ2N:O) manganese(II)] tetrahydrate [(3,5-bis-(pyridin-4-ylmethoxy)-benzoic-κ1 Oκ1 N) manganese(II)] trihydrate, C38H42MnN4O14
Authors of publication	Zou, Gui-Hua; Zou, Yu-Long; Shen, Guang-Zhi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	599 - 600
a	19.165 ± 0.012 Å
b	10.116 ± 0.006 Å
c	20.734 ± 0.013 Å
α	90°
β	99.021 ± 0.011°
γ	90°
Cell volume	3970 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0705
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
279526 (current)	2022-11-24	cif/ Adding structures of 8106228 via cif-deposit CGI script.	8106228.cif