Crystallography Open Database

Information card for entry 4332830

Preview

Coordinates	4332830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Co F10 N6 O2 P6
Calculated formula	C23 H17 Co F10 N6 O2 P6
SMILES	[Co]1234567([c]8([cH]1[cH]2[cH]3[cH]48)C(=O)OC)[C]1(P2(F)=NP(F)(F)=NP(F)(F)=N2)=[C]5([C]6(P2(F)=NP(F)(F)=NP(F)(F)=N2)=[C]71c1ccccc1)c1ccccc1
Title of publication	Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles: Reagents for Assembly of Aryl-Bridged Fluorophosphazenes
Authors of publication	Kumar, Muthiah Senthil; Upreti, Shailesh; Elias, Anil J.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	19
Pages of publication	7835 - 7842
a	7.3106 ± 0.0011 Å
b	22.024 ± 0.003 Å
c	19.681 ± 0.003 Å
α	90°
β	94.876 ± 0.003°
γ	90°
Cell volume	3157.3 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
179431 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/28.	4332830.cif
98578	2014-01-30	cif/ Adding structures of 4332828, 4332829, 4332830, 4332831 via cif-deposit CGI script.	4332830.cif