Crystallography Open Database

Information card for entry 7216688

Preview

Coordinates	7216688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Mn N2 O6
Calculated formula	C22 H18 Mn N2 O6
Title of publication	Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties
Authors of publication	Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	33
Pages of publication	7790
a	9.6769 ± 0.0017 Å
b	10.0627 ± 0.0018 Å
c	12.108 ± 0.002 Å
α	72.146 ± 0.002°
β	66.911 ± 0.002°
γ	74.995 ± 0.002°
Cell volume	1019.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0796
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.203
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
180497 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/66.	7216688.cif
121618	2014-08-08	cif/ Updating files of 7216684, 7216685, 7216686, 7216687, 7216688, 7216689 Original log message: Adding full bibliography for 7216684--7216689.cif.	7216688.cif
117769	2014-06-17	cif/ Adding structures of 7216684, 7216685, 7216686, 7216687, 7216688, 7216689 via cif-deposit CGI script.	7216688.cif