Crystallography Open Database

Information card for entry 4348646

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Coordinates	4348646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Co9 N16 Na O124 P2 W20
Calculated formula	C32 H32 Co9 N16 Na O124 P2 W20
SMILES	c1ccc[n]2[n]1[Co]134[O][Co]567[n]8[n](cccc8)[Co]89([OH2])([OH2])[n]%10[n](cccc%10)[Co]%10%11%12O[Co]%13%14%15[n]%16cccc[n]%16[Co]2([OH2])([OH2])([O]4[W]24(O[W]%16%17%18(O[W]%19%20(=O)O[W]%21%22(=O)O[W]%23(O[W]%24(O%21)(O[W]%21%25(O[W](=O)(O%22)(O%20)O[W](O%17)(=O)(O%21)([O]%25P(=[O]4)(O%18)[O]%23%24)O2)(=O)O5)(=O)O6)(=O)(O[W](O%19)(=O)(O3)O%16)O1)=O)(=O)[O]78)[O]%13[W]12(=O)([O]9%10)O[W]345(O[W]67(=O)O[W]89(=O)O[W]%10(=O)(O6)O[W]6%13([O]%16[W](O%10)(O%15)(O6)(=O)O[W](O8)(O%14)(=O)O[W](O9)([O]=P%16([O]3[W](O7)(O%11)(O5)(=O)O%13)O2)(O1)(=O)O4)(O%12)=O)=O.[OH2][Co]123([n]4cccc[n]4[Co]4([n]5[n](cccc5)[Co]([n]5cccc[n]15)([O]24)([OH2])([OH2])[n]1cccc[n]31)([OH2])([OH2])[OH2])[OH2].[Na]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.
Authors of publication	Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	9006 - 9011
a	12.1218 ± 0.0005 Å
b	44.069 ± 0.002 Å
c	13.7866 ± 0.0007 Å
α	90°
β	92.743 ± 0.003°
γ	90°
Cell volume	7356.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
233221 (current)	2019-11-23	cif/ Adding structures of 4348646, 4348647 via cif-deposit CGI script.	4348646.cif