Crystallography Open Database

Information card for entry 7039638

Preview

Coordinates	7039638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H100 K2 O5.5 Zr
Calculated formula	C65 H90 K2 O5 Zr
Title of publication	Synthesis and reactions of a zirconium naphthalene complex bearing a tetraanionic C-capped triaryloxide ligand.
Authors of publication	Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	40
Pages of publication	15879 - 15885
a	22.405 ± 0.004 Å
b	17.33 ± 0.003 Å
c	35.658 ± 0.007 Å
α	90°
β	95.581 ± 0.002°
γ	90°
Cell volume	13780 ± 4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.2401
Weighted residual factors for all reflections included in the refinement	0.2563
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
188204 (current)	2016-11-08	cif/ Updating files of 7039635, 7039636, 7039637, 7039638 Original log message: Adding full bibliography for 7039635--7039638.cif.	7039638.cif
183894	2016-06-24	cif/ Adding structures of 7039635, 7039636, 7039637, 7039638 via cif-deposit CGI script.	7039638.cif