Crystallography Open Database

Information card for entry 7121031

Preview

Coordinates	7121031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 Bi2 Co4 N4 Na8 O98 W18
Calculated formula	C14 H28 Bi2 Co4 N4 Na8 O98 W18
SMILES	[W]1234(O[W]567(O[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17%18(=[O][Co]%19%20([O]=[W]%21([O]%11%14[Bi]%11[O]3%18[W](O[W](O8)(O%12)([O]69%11)(O7)=O)(O%17)(O%15)(O4)=O)(=[O][Co]3([OH2])([O]=%10)([OH2])[O]=[W]467(O[W]89%10(O[W]%11%12%14([O]8([W](=[O]%19)(=[O]3)(O%10)(O%14)=[O][Co]([O]=1)([O]=5)([OH2])([OH2])[OH2])[Bi]1[O]37[W]57(O[W]8%10(O[W]%14(O%11)(O[W](O[W]3(O6)(O9)(O7)=O)(O%12)([O]18%14)(O%10)=O)(=[O]%20)=O)(=[O][Co]([O]=%21)([O]=5)([OH2])([OH2])[OH2])=O)(O4)=O)=O)=O)=O)(O%16)O%13)([OH2])[OH2])(O2)=O)=O)=O)=O)=O)=O.[Na+].O.[Na+].[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.c1c(N(C)C)ccnc1.[Na+].O.[Na+].[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.c1c(N(C)C)ccnc1
Title of publication	Multiple binding modes of an unconjugated bis(pyridine) ligand stabilize low-valent [Cp*Rh] complexes.
Authors of publication	Lionetti, Davide; Day, Victor W.; Lassalle-Kaiser, Benedikt; Blakemore, James D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	14
Pages of publication	1694 - 1697
a	43.399 ± 0.017 Å
b	18.242 ± 0.007 Å
c	17.078 ± 0.007 Å
α	90°
β	103.322 ± 0.005°
γ	90°
Cell volume	13157 ± 9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1285
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
290444 (current)	2024-03-12	cif/7: Fixing Z values and formulae	7121031.cif
228394	2019-11-17	cif/ Updating files of 7121031 Original log message: Adding full bibliography for 7121031.cif.	7121031.cif
204434	2017-12-21	cif/ Adding structures of 7121031 via cif-deposit CGI script.	7121031.cif