Crystallography Open Database

Information card for entry 4346913

Preview

Coordinates	4346913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 Cl12 Cu4 Fe N7 O72 Si2 W18
Calculated formula	C124 Cl12 Cu4 Fe N7 O72 Si2 W18
SMILES	[O]12[W]34(=O)O[W]567(=O)O[W]89%10(=O)=[O][Cu]%11%12%13[O]%14[Fe]1%15%16%17[O]5[Si]15[O]%18%19[W]%20%21(O4)(=O)O[W]4%22(O3)(=O)=[O][Cu]3([O]%17[W]%17%23%24(=O)O[W]%25%14(=O)O[W]%14%26%27(=O)=[O][Cu]%28%29([O]7%16)[O]=[W]7%16(=O)(O%14)O[W]%14%30%31(=O)=[O][Cu]2%32(O%29)[O]=[W]2(=O)(O%23)(O%14)[O]%30%32[Si]([O]%15%17)([O]7%27%28)[O]7%14[W]%15(O%25)(O%26)(O[W]7(O%24)(O2)(O[W]%14(O%31)(O%16)(O%15)=O)=O)=O)([O]=[W]2(=O)(O[W](=[O]%12)(=O)(O9)([O]1%10%11)O[W]%18(O%20)(=O)(O2)O[W]%19(O6)(O%21)(O8)=O)(O4)[O]53%22)O%13.C(CCl)Cl.C(CCl)Cl.ClCCCl.C(CCl)Cl.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCl)Cl.C(CCl)Cl.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
Title of publication	Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.
Authors of publication	Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	2023 - 2029
a	19.2687 ± 0.0002 Å
b	29.5016 ± 0.0003 Å
c	19.311 ± 0.0002 Å
α	90°
β	110.777 ± 0.0009°
γ	90°
Cell volume	10263.6 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1103
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2265
Weighted residual factors for all reflections included in the refinement	0.2404
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
232061 (current)	2019-11-23	cif/ Adding structures of 4346913 via cif-deposit CGI script.	4346913.cif