Crystallography Open Database

Information card for entry 7047698

Preview

Coordinates	7047698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Mn N6 O6
Calculated formula	C14 H14 Mn N6 O6
Title of publication	Water stable oxalate-based coordination polymers with in situ generated cyclic dipeptides showing high proton conductivity.
Authors of publication	Shi, Jingyu; Li, Jing; Zeng, Hongmei; Zou, Guohong; Zhang, Qinghua; Lin, Zhien
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	43
Pages of publication	15288 - 15292
a	9.78208 ± 0.00016 Å
b	11.574 ± 0.00017 Å
c	14.918 ± 0.0002 Å
α	90°
β	95.6582 ± 0.0014°
γ	90°
Cell volume	1680.75 ± 0.04 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229445 (current)	2019-11-17	cif/ Updating files of 7047697, 7047698 Original log message: Adding full bibliography for 7047697--7047698.cif.	7047698.cif
211306	2018-10-04	cif/ Adding structures of 7047697, 7047698 via cif-deposit CGI script.	7047698.cif