Crystallography Open Database

Information card for entry 7046114

Preview

Coordinates	7046114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 Mn N3 O5
Calculated formula	C23 H15 Mn N3 O5
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	27.489 ± 0.005 Å
b	12.357 ± 0.0016 Å
c	13.6835 ± 0.0017 Å
α	90°
β	118.528 ± 0.003°
γ	90°
Cell volume	4083.7 ± 1 Å³
Cell temperature	386 ± 2 K
Ambient diffraction temperature	386.3 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	0.0364
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	7046114.cif
207486	2018-04-26	cif/ Adding structures of 7046112, 7046113, 7046114 via cif-deposit CGI script.	7046114.cif