Crystallography Open Database

Information card for entry 4332828

Preview

Coordinates	4332828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H32 Co F10 N6 O2 P7
Calculated formula	C41 H32 Co F10 N6 O2 P7
SMILES	[Co]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([c]6(C(=O)OC)[cH]1[cH]2[cH]3[cH]46)C(=C(C(=C5P1(F)=NP(F)(F)=NP(F)(F)=N1)c1ccccc1)c1ccccc1)P1(F)=NP(F)(F)=NP(F)(F)=N1
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	10.563 ± 0.003 Å
b	11.418 ± 0.003 Å
c	20.883 ± 0.005 Å
α	82.733 ± 0.005°
β	76.226 ± 0.004°
γ	72.19 ± 0.005°
Cell volume	2325.1 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1098
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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.	4332828.cif
98578	2014-01-30	cif/ Adding structures of 4332828, 4332829, 4332830, 4332831 via cif-deposit CGI script.	4332828.cif