Crystallography Open Database

Information card for entry 4084359

Preview

Coordinates	4084359.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	15-Ni
Formula	C48.5 H53 Au2 Cl3 N6 Ni O2
Calculated formula	C48.5 H53 Au2 Cl3 N6 Ni O2
Title of publication	Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes
Authors of publication	Mechler, Melanie; Frey, Wolfgang; Peters, René
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5492
a	12.2291 ± 0.0017 Å
b	13.6366 ± 0.0019 Å
c	16.584 ± 0.002 Å
α	77.468 ± 0.008°
β	72.261 ± 0.007°
γ	66.012 ± 0.006°
Cell volume	2392.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.178
Residual factor for significantly intense reflections	0.1092
Weighted residual factors for significantly intense reflections	0.2575
Weighted residual factors for all reflections included in the refinement	0.2859
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4084359.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4084359.cif
127233	2014-11-12	cif/ Updating files of 4084357, 4084358, 4084359 Original log message: Adding full bibliography for 4084357--4084359.cif.	4084359.cif
123319	2014-09-07	cif/ Adding structures of 4084357, 4084358, 4084359 via cif-deposit CGI script.	4084359.cif