Crystallography Open Database

Information card for entry 7217060

Preview

Coordinates	7217060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 N4 O9 S Zn2
Calculated formula	C46 H50 N4 O9 S Zn2
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	28.204 ± 0.0018 Å
b	11.495 ± 0.0015 Å
c	15.042 ± 0.0009 Å
α	90°
β	114.001 ± 0.005°
γ	90°
Cell volume	4455 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0561
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217060.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.	7217060.cif
119605	2014-07-08	cif/ Adding structures of 7217053, 7217054, 7217055, 7217056, 7217057, 7217058, 7217059, 7217060, 7217061 via cif-deposit CGI script.	7217060.cif