Crystallography Open Database

Information card for entry 4084274

Preview

Coordinates	4084274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76.5 H76 Al2 N4 O
Calculated formula	C76.5 H76 Al2 N4 O
Title of publication	Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand
Authors of publication	Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	17
Pages of publication	4503
a	11.4137 ± 0.0002 Å
b	13.7788 ± 0.0002 Å
c	20.9666 ± 0.0003 Å
α	95.103 ± 0.001°
β	96.525 ± 0.001°
γ	96.276 ± 0.001°
Cell volume	3239.16 ± 0.09 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 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	0.0578
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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