Crystallography Open Database

Information card for entry 7714572

Preview

Coordinates	7714572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H95 F Hf2 N2 O4.5
Calculated formula	C80 H91 F Hf2 N2 O4
SMILES	[Hf]12(Oc3c(cc(cc3c3[n]1c(ccc3)c1c2c(F)c2[Hf]3(Oc4c(c5[n]3c(c2c1)ccc5)cc(cc4C(C)(C)C)C(C)(C)C)([O]1CCCC1)(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)C(C)(C)C)([O]1CCCC1)(Cc1ccccc1)Cc1ccccc1
Title of publication	Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.
Authors of publication	Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	346 - 353
a	18.1231 ± 0.0005 Å
b	22.0856 ± 0.0006 Å
c	18.4615 ± 0.0006 Å
α	90°
β	99.607 ± 0.001°
γ	90°
Cell volume	7285.8 ± 0.4 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
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	0.0284
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289460 (current)	2024-02-04	cif/ Updating files of 7714567, 7714568, 7714569, 7714570, 7714571, 7714572 Original log message: Adding full bibliography for 7714567--7714572.cif.	7714572.cif
287865	2023-11-30	cif/ Adding structures of 7714567, 7714568, 7714569, 7714570, 7714571, 7714572 via cif-deposit CGI script.	7714572.cif