Crystallography Open Database

Information card for entry 4339919

Preview

Coordinates	4339919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H75 N3 O5 Zr
Calculated formula	C56 H46 N3 O5 Zr
Title of publication	Synthesis and reactivity of metal complexes supported by the tetradentate monoanionic ligand bis(2-picolyl)(2-hydroxy-3,5-di-tert-butylbenzyl)amide (BPPA).
Authors of publication	Chomitz, Wayne A.; Minasian, Stefan G.; Sutton, Andrew D.; Arnold, John
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7199 - 7209
a	9.536 ± 0.002 Å
b	10.359 ± 0.002 Å
c	28.345 ± 0.004 Å
α	98.173 ± 0.002°
β	92.209 ± 0.002°
γ	110.14 ± 0.002°
Cell volume	2590.5 ± 0.8 Å³
Cell temperature	141.2 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	0.0854
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for all reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	2.031
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339919.cif
117613	2014-06-15	cif/ Adding structures of 4339919 via cif-deposit CGI script.	4339919.cif