Crystallography Open Database

Information card for entry 4085518

Preview

Coordinates	4085518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H40 F10 N8 O3 Zn4
Calculated formula	C62 H56 F10 N8 O3 Zn4
Title of publication	Macrocyclic Platforms for the Construction of Tetranuclear Oxo and Hydroxo Zinc Clusters
Authors of publication	Cadenbach, Thomas; Pankhurst, James R.; Hofmann, Tommy A.; Curcio, Massimiliano; Arnold, Polly L.; Love, Jason B.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2608
a	16.5879 ± 0.0005 Å
b	19.525 ± 0.0006 Å
c	20.8445 ± 0.0007 Å
α	90°
β	94.577 ± 0.003°
γ	90°
Cell volume	6729.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.083
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178744 (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 4/08/55.	4085518.cif
141397	2015-07-09	cif/ Updating files of 4085516, 4085517, 4085518, 4085519 Original log message: Adding full bibliography for 4085516--4085519.cif.	4085518.cif
131874	2015-02-15	cif/ Adding structures of 4085516, 4085517, 4085518, 4085519 via cif-deposit CGI script.	4085518.cif