Crystallography Open Database

Information card for entry 7220235

7220234 << 7220235 >> 7220236

Preview

Coordinates	7220235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 B2 Co N24 O88 W24
Calculated formula	C60 H56 B2 Co N24 O88 W24
SMILES	[B]123[O]45[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=[O][Co]([n]%15cn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16c[nH+]cc%16)cc%15)([n]%15ccn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16cc[nH+]c%16)c%15)([n]%15ccn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16cc[nH+]c%16)c%15)([n]%15ccn(c%16cc(cc(c%16)n%16cc[nH+]c%16)n%16c[nH+]cc%16)c%15)[O]=[W]%15%16%17%18O[W]%19%20%21(=O)O[W]%22%23(=O)(O%15)O[W]%15%24%25(=O)O[W]%26%27%28(=O)O[W]%29%30%31(=O)O[W]%32(=O)(O%22)(O[W]%22(=O)(O%19)(O%29)O[W]%19%29(=O)(O%20)O[W]%20(=O)(O%30)(O%26)O[W]%26(=O)(O%19)(O[W](=O)(O%16)(O%27)(O%24)[O]%25%28[B]([O]%29%20%26)([O]%31%32%22)[O]%18%21%23)O%17)O%15)O[W]%15(=O)(O[W]%16%17%18(=O)O[W]%19%20%21(O[W]%22%23(O[W]%24(=O)(O%15)(O[W](O%10)([O]2%22%24)(=O)(O%23)O7)O%16)(O[W]4(O%19)(=O)(O8)O[W]5(O6)(O[W](=O)(O%12)(O%20)(O%17)[O]1%18%21)(O%13)=O)=O)=O)(O9)[O]3%11%14)=O.O.O.O.O.O.O.O.O
Title of publication	Assembly of hybrids based on polyoxotungstates and Co-tris(imidazolyl) complexes with bifunctional electrocatalytic activities
Authors of publication	Zhou, Wanli; Peng, Jun; Zhang, Zheyu; Shi, Zhenyu; Khan, shifa Ullah; Liu, Hong-Sheng
Journal of publication	RSC Adv.
Year of publication	2015
a	12.3 ± 0.005 Å
b	13.241 ± 0.005 Å
c	18.837 ± 0.005 Å
α	98.227 ± 0.005°
β	94.896 ± 0.005°
γ	93.212 ± 0.005°
Cell volume	3018 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
135773 (current)	2015-05-08	cif/ Adding structures of 7220233, 7220234, 7220235 via cif-deposit CGI script.	7220235.cif