Crystallography Open Database

Information card for entry 2018164

2018163 << 2018164 >> 2018165

Preview

Coordinates	2018164.cif
Structure factors	2018164.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	tetra-<i>tert</i>-butyldi-μ~4~-oxido-bis(tetramethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(μ~2~-2,2,6,6-tetramethylpiperidin-1-ido- κ^2^<i>N</i>:<i>N</i>)disodiumtetrazinc hexane 0.59-solvate
Formula	C49.54 H112.26 N6 Na2 O2 Zn4
Calculated formula	C49.54 H112.26 N6 Na2 O2 Zn4
SMILES	C1(C)(C)[N]2(C(C)(C)CCC1)[Zn](C(C)(C)C)[O]1([Na]23[N](C)(C)CC[N]3(C)C)[Zn](C(C)(C)C)[O]2([Zn](C(C)(C)C)[N]3([Na]24[N](C)(C)CC[N]4(C)C)C(C)(C)CCCC3(C)C)[Zn]1C(C)(C)C.C(CC)CCC
Title of publication	A μ~4~-oxide-containing a dimeric variant of a sodium dialkyl(amido)zincate reagent
Authors of publication	Balloch, Liam; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	7
Pages of publication	m252 - m254
a	27.3191 ± 0.0012 Å
b	18.7841 ± 0.0007 Å
c	12.7375 ± 0.0006 Å
α	90°
β	97.565 ± 0.004°
γ	90°
Cell volume	6479.5 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180850 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81.	2018164.cif 2018164.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018164.cif 2018164.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018164.cif 2018164.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018164.cif 2018164.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2018164.cif 2018164.hkl
23417	2011-08-08	hkl/ Adding Fobs data for the recently deposited coordinates from IUCr.	2018164.cif 2018164.hkl
23239	2011-08-04	../uploads/cif-deposit/cod/cif Adding structures of 2018164 via cif-deposit CGI script.	2018164.cif