Crystallography Open Database

Information card for entry 4339748

Preview

Coordinates	4339748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H33 Cl N4 Ni O6
Calculated formula	C35 H33 Cl N4 Ni O6
Title of publication	Acireductone dioxygenase- (ARD-) type reactivity of a nickel(II) complex having monoanionic coordination of a model substrate: product identification and comparisons to unreactive analogues.
Authors of publication	Szajna-Fuller, Ewa; Rudzka, Katarzyna; Arif, Atta M.; Berreau, Lisa M.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5499 - 5507
a	18.1012 ± 0.0003 Å
b	15.7016 ± 0.0003 Å
c	22.6629 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6441.2 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339748.cif
117514	2014-06-15	cif/ Adding structures of 4339747, 4339748, 4339749 via cif-deposit CGI script.	4339748.cif