Crystallography Open Database

Information card for entry 1572615

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Coordinates	1572615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H62 Hf2 N4
Calculated formula	C66 H62 Hf2 N4
Title of publication	Synthesis of dinuclear pyridyl-amido hafnium and zirconium complexes toward olefin polymerization with unexpected stereospecificity and ultra-high molecular weight capability
Authors of publication	Xing, Yanhong; Liu, Shaofeng; Li, Zhibo
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	40
Pages of publication	4141 - 4150
a	17.649 ± 0.0004 Å
b	12.8229 ± 0.0003 Å
c	24.5818 ± 0.0006 Å
α	90°
β	101.244 ± 0.001°
γ	90°
Cell volume	5456.4 ± 0.2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
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	0.041
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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