Crystallography Open Database

Information card for entry 4084324

Preview

Coordinates	4084324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Cu2 F12 N8 P2
Calculated formula	C36 H38 Cu2 F9 N8 P1.5
Title of publication	Aerobic Oxidative Coupling of 2-Naphthol Derivatives Catalyzed by a Hexanuclear Bis(μ-hydroxo)copper(II) Catalyst
Authors of publication	Meesala, Yedukondalu; Wu, Hsyueh-Liang; Koteswararao, Bommisetti; Kuo, Ting-Shen; Lee, Way-Zen
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	17
Pages of publication	4385
a	11.298 ± 0.0016 Å
b	12.948 ± 0.003 Å
c	17.812 ± 0.004 Å
α	106.601 ± 0.014°
β	98.692 ± 0.014°
γ	99.664 ± 0.009°
Cell volume	2406.3 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1509
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.205
Weighted residual factors for all reflections included in the refinement	0.2352
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
178732 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/43.	4084324.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4084324.cif
122579	2014-08-28	cif/ Adding structures of 4084322, 4084323, 4084324 via cif-deposit CGI script.	4084324.cif