Crystallography Open Database

Information card for entry 7058221

Preview

Coordinates	7058221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Mn N2 O6
Calculated formula	C26 H21.554 Mn N2 O6
Title of publication	An acetylenedicarboxylato-bridged Mn(ii)-based 1D coordination polymer: electrochemical CO2 reduction and magnetic properties
Authors of publication	Dutta, Basudeb; Maity, Suvendu; Ghosh, Soumen; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	13
Pages of publication	5167
a	9.9338 ± 0.0006 Å
b	27.9007 ± 0.0017 Å
c	9.4653 ± 0.0005 Å
α	90°
β	115.055 ± 0.002°
γ	90°
Cell volume	2376.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0934
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2228
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224871 (current)	2019-11-08	cif/ Updating files of 7058221 Original log message: Adding full bibliography for 7058221.cif.	7058221.cif
213914	2019-03-01	cif/ Adding structures of 7058221 via cif-deposit CGI script.	7058221.cif