Crystallography Open Database

Information card for entry 7210779

Preview

Coordinates	7210779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Co N4 O14 S2
Calculated formula	C32 H24 Co N4 O14 S2
Title of publication	Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins
Authors of publication	Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	20
Pages of publication	4181
a	17.9776 ± 0.0002 Å
b	17.9776 ± 0.0002 Å
c	22.3567 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7225.55 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180438 (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 7/21/07.	7210779.cif
90120	2013-11-17	cif/ Adding structures of 7210779, 7210780 via cif-deposit CGI script.	7210779.cif