Crystallography Open Database

Information card for entry 7055138

Preview

Coordinates	7055138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Co N10 Na O6 S4
Calculated formula	C26 H22 Co N10 Na O6 S4
SMILES	c12[n]3[Co]45(N(C1=O)C1=NCCS1)(N(C(c3ccc2)=O)C1=NCCS1)N(C(c1cccc(C(N5C2=NCCS2)=O)[n]41)=O)C1=NCCS1.O.[Na+].O
Title of publication	Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications
Authors of publication	Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	12
Pages of publication	9772
a	9.7473 ± 0.0009 Å
b	17.3697 ± 0.0015 Å
c	18.2266 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3085.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1101
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171302 (current)	2015-12-09	cif/ Updating files of 7055138, 7055139, 7055140, 7055141 Original log message: Adding full bibliography for 7055138--7055141.cif.	7055138.cif
161129	2015-10-09	cif/ Adding structures of 7055138, 7055139, 7055140, 7055141 via cif-deposit CGI script.	7055138.cif