Crystallography Open Database

Information card for entry 7114855

Preview

Coordinates	7114855.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(iPr4DBF)Zr2Bn6(Et2O)1.5
Formula	C74 H91 N4 O2.5 Zr2
Calculated formula	C74 H86 N4 O2.5 Zr2
Title of publication	New binucleating ligands to support dizirconium organometallics
Authors of publication	Hagadorn, John R.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	20
Pages of publication	2144
a	11.392 ± 0.002 Å
b	18.274 ± 0.004 Å
c	18.717 ± 0.004 Å
α	109.66 ± 0.03°
β	102.65 ± 0.03°
γ	105.5 ± 0.03°
Cell volume	3324.7 ± 1.8 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114855.cif
118378	2014-06-30	cif/ Adding structures of 7114855, 7114856, 7114857 via cif-deposit CGI script.	7114855.cif