Crystallography Open Database

Information card for entry 7217061

Preview

Coordinates	7217061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 N2 O8 P2 Zn
Calculated formula	C34 H28 N2 O8 P2 Zn
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	22.74 ± 0.12 Å
b	28.36 ± 0.13 Å
c	10.39 ± 0.05 Å
α	90°
β	101.66 ± 0.08°
γ	90°
Cell volume	6562 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1634
Residual factor for significantly intense reflections	0.1326
Weighted residual factors for significantly intense reflections	0.3206
Weighted residual factors for all reflections included in the refinement	0.3494
Goodness-of-fit parameter for all reflections included in the refinement	1.31
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
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.	7217061.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.	7217061.cif
119605	2014-07-08	cif/ Adding structures of 7217053, 7217054, 7217055, 7217056, 7217057, 7217058, 7217059, 7217060, 7217061 via cif-deposit CGI script.	7217061.cif