Crystallography Open Database

Information card for entry 7714569

Preview

Coordinates	7714569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H96 N2 O4.5 Zr2
Calculated formula	C82 H96 N2 O4.5 Zr2
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	19.3473 ± 0.0004 Å
b	10.088 ± 0.0002 Å
c	37.1203 ± 0.0009 Å
α	90°
β	91.104 ± 0.001°
γ	90°
Cell volume	7243.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0541
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7714569.cif
287865	2023-11-30	cif/ Adding structures of 7714567, 7714568, 7714569, 7714570, 7714571, 7714572 via cif-deposit CGI script.	7714569.cif