Crystallography Open Database

Information card for entry 4339713

Preview

Coordinates	4339713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H33.7 Cl0.2 N3.9 Ni O1.1
Calculated formula	C35.5 H33.7 Cl0.2 N3.9 Ni O1.1
Title of publication	Dioxygen activation by diiminodipyrromethane complexes of Ni, Pd, and Pt.
Authors of publication	Katayev, Evgeny A.; Severin, Kay; Scopelliti, Rosario; Ustynyuk, Yuri A.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5465 - 5467
a	12.069 ± 0.006 Å
b	24.496 ± 0.016 Å
c	10.616 ± 0.003 Å
α	90°
β	112.35 ± 0.03°
γ	90°
Cell volume	2903 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
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.	4339713.cif
117497	2014-06-15	cif/ Adding structures of 4339713 via cif-deposit CGI script.	4339713.cif