Crystallography Open Database

Information card for entry 4066404

Preview

Coordinates	4066404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H140 N12 O8 Zn10
Calculated formula	C59 H140 N12 O8 Zn10
Title of publication	Structural Study of the Reaction of Methylzinc Amino Alcoholates with Oxygen
Authors of publication	Hollingsworth, Nathan; Johnson, Andrew L.; Kingsley, Andrew; Kociok-Köhn, Gabriele; Molloy, Kieran C.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	15
Pages of publication	3318
a	17.9285 ± 0.0002 Å
b	9.4279 ± 0.0001 Å
c	25.3635 ± 0.0003 Å
α	90°
β	99.119 ± 0.001°
γ	90°
Cell volume	4232.96 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0733
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178556 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64.	4066404.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066404.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066404.cif
33885	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066399, 4066400, 4066401, 4066402, 4066403, 4066404, 4066405 via cif-deposit CGI script.	4066404.cif