Crystallography Open Database

Information card for entry 4339917

Preview

Coordinates	4339917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cl5.5 I3 N3 O U
Calculated formula	C30 H34 Cl5.39 I3 N3 O U
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	9.206 ± 0.003 Å
b	19.809 ± 0.006 Å
c	11.727 ± 0.004 Å
α	90°
β	99.259 ± 0.003°
γ	90°
Cell volume	2110.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 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.	4339917.cif
117611	2014-06-15	cif/ Adding structures of 4339917 via cif-deposit CGI script.	4339917.cif