Crystallography Open Database

Information card for entry 2228956

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Structure parameters

Chemical name	Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis{[4- (dimethylamino)pyridine-κ<i>N</i>^1^]zinc(II)}
Formula	C42 H40 N4 O8 Zn2
Calculated formula	C42 H40 N4 O8 Zn2
SMILES	c1[n](ccc(c1)N(C)C)[Zn]123[O]=C(c4ccccc4)O[Zn]([n]4ccc(cc4)N(C)C)([O]=C(c4ccccc4)O1)(OC(=[O]3)c1ccccc1)[O]=C(O2)c1ccccc1
Title of publication	Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]zinc(II)}
Authors of publication	Yu, Zhe-Yin; Lin, Kun-Hua; Zhang, Fei-Fei; Shao, Min; Li, Ming
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	2
Pages of publication	m206
a	10.3146 ± 0.0012 Å
b	11.1558 ± 0.0013 Å
c	17.324 ± 0.002 Å
α	90°
β	95.616 ± 0.001°
γ	90°
Cell volume	1983.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0423
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181210 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/89.	2228956.cif 2228956.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228956.cif 2228956.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228956.cif 2228956.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.	2228956.cif 2228956.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228956.cif 2228956.hkl
14261	2011-03-09	Adding the Fobs data for the recenty deposited IUCr structrures.	2228956.cif 2228956.hkl
11974	2011-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2228956 via cif-deposit CGI script.	2228956.cif