Crystallography Open Database

Information card for entry 4305579

Preview

Coordinates	4305579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H107 Al2 N4 O3 Zr
Calculated formula	C76 H107 Al2 N4 O3 Zr
Title of publication	On the Quest for New Mixed-Metal μ-Oxo-bridged Complexes: Synthesis of Compounds Containing Transition Metal-Oxygen-Main Group Metal Motifs M-O-M1 (M = Ti, Zr; M1= Al, Ga) without Cyclopentadienyl Ligands
Authors of publication	Grigory B. Nikiforov; Herbert W. Roesky; Thomas Schulz; Dietmar Stalke; M. Witt
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6435 - 6443
a	12.2881 ± 0.0009 Å
b	17.1318 ± 0.0013 Å
c	19.858 ± 0.002 Å
α	111.685 ± 0.001°
β	93.87 ± 0.001°
γ	109.309 ± 0.001°
Cell volume	3579.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179093 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/55.	4305579.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305579.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305579.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305579.cif