Crystallography Open Database

Information card for entry 4089643

Preview

Coordinates	4089643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170 H162 N22 O30.5 Pd4
Calculated formula	C170 H162 N22 O30.5 Pd4
Title of publication	Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series
Authors of publication	Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7612
a	22.8363 ± 0.0013 Å
b	29.1588 ± 0.0016 Å
c	27.6123 ± 0.0016 Å
α	90°
β	99.002 ± 0.002°
γ	90°
Cell volume	18160 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.125
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
243712 (current)	2019-11-26	cif/ Adding structures of 4089637, 4089638, 4089639, 4089640, 4089641, 4089642, 4089643 via cif-deposit CGI script.	4089643.cif