Crystallography Open Database

Information card for entry 4319286

4319285 << 4319286 >> 4319287

Preview

Coordinates	4319286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H80 O6 Zn6
Calculated formula	C62 H80 O6 Zn6
SMILES	C([Zn]1[O]2c3c(C4c5c(c(C)cc(C)c5)[O]5[Zn](CC)[O]6c7c(C(c8c(c(C)cc(C)c8)[O]([Zn]([O](c8c4cc(cc8C)C)[Zn]6CC)CC)[Zn]2CC)c2c(c(C)cc(C)c2)[O]1[Zn]5CC)cc(cc7C)C)cc(cc3C)C)C
Title of publication	Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides
Authors of publication	Maarten B. Dinger; Michael J. Scott
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1029 - 1036
a	20.5594 ± 0.0015 Å
b	20.5594 ± 0.0015 Å
c	11.8777 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	4347.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0652
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179272 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/92.	4319286.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319286.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319286.cif
16018	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319286 via cif-deposit CGI script.	4319286.cif