Crystallography Open Database

Information card for entry 7046112

Preview

Coordinates	7046112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17.5 Mn N3 O6
Calculated formula	C23 H17.5 Mn N3 O6
Title of publication	Solvent-dependent variations of both structure and catalytic performance in three manganese coordination polymers.
Authors of publication	Kang, Xiao-Min; Wang, Wen-Min; Yao, Lin-Hong; Ren, Hong-Xia; Zhao, Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	20
Pages of publication	6986 - 6994
a	11.3671 ± 0.0005 Å
b	11.6113 ± 0.0003 Å
c	20.9861 ± 0.0007 Å
α	80.625 ± 0.003°
β	74.837 ± 0.003°
γ	73.183 ± 0.003°
Cell volume	2547.69 ± 0.16 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	0.0528
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
229698 (current)	2019-11-17	cif/ Updating files of 7046112, 7046113, 7046114 Original log message: Adding full bibliography for 7046112--7046114.cif.	7046112.cif
207486	2018-04-26	cif/ Adding structures of 7046112, 7046113, 7046114 via cif-deposit CGI script.	7046112.cif