Crystallography Open Database

Information card for entry 7224382

Preview

Coordinates	7224382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Cl6 Hf2 N8 O6
Calculated formula	C46 H62 Cl6 Hf2 N8 O6
SMILES	c12c(cc(cc1C=[N]1C(=C(C#N)N[Hf]31([O](CC)[Hf]14([N](=Cc5c(c(cc(c5)C)C(C)(C)C)O4)C(=C(C#N)N1)C#N)([O]3CC)OC(C)(C)C)(O2)OC(C)(C)C)C#N)C)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies
Authors of publication	Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	26
Pages of publication	21706
a	9.6702 ± 0.0003 Å
b	10.9556 ± 0.0003 Å
c	14.5845 ± 0.0004 Å
α	108.448 ± 0.001°
β	90.6828 ± 0.0011°
γ	101.232 ± 0.001°
Cell volume	1433.15 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176860 (current)	2016-02-24	cif/ Adding structures of 7224380, 7224381, 7224382 via cif-deposit CGI script.	7224382.cif