Crystallography Open Database

Information card for entry 7217059

Preview

Coordinates	7217059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 Mn N2 O5
Calculated formula	C23 H26 Mn N2 O5
Title of publication	Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers
Authors of publication	Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	36
Pages of publication	8429
a	13.211 ± 0.008 Å
b	11.69 ± 0.007 Å
c	14.445 ± 0.009 Å
α	90°
β	99.835 ± 0.011°
γ	90°
Cell volume	2198 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0954
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180501 (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 7/21/70.	7217059.cif
123399	2014-09-08	cif/ Updating files of 7217053, 7217054, 7217055, 7217056, 7217057, 7217058, 7217059, 7217060, 7217061 Original log message: Adding full bibliography for 7217053--7217061.cif.	7217059.cif
119605	2014-07-08	cif/ Adding structures of 7217053, 7217054, 7217055, 7217056, 7217057, 7217058, 7217059, 7217060, 7217061 via cif-deposit CGI script.	7217059.cif