Crystallography Open Database

Information card for entry 2234034

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Structure parameters

Chemical name	Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2- en-2-yl}anilinido)zinc
Formula	C38 H42 N4 Zn
Calculated formula	C38 H42 N4 Zn
SMILES	[Zn]12([N](=C(C)C=C(C)N1c1ccc(cc1)C)c1ccc(cc1)C)N(C(=CC(C)=[N]2c1ccc(cc1)C)C)c1ccc(cc1)C
Title of publication	Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2-en-2-yl}anilinido)zinc
Authors of publication	Vaughan, Benjamin A.; Wetherby, Anthony E.; Waterman, Rory
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	3
Pages of publication	m343
a	14.1266 ± 0.0013 Å
b	18.8197 ± 0.0017 Å
c	25.059 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6662.1 ± 1 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2234034.cif 2234034.hkl
181262	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/40.	2234034.cif 2234034.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2234034.cif 2234034.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2234034.cif 2234034.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.	2234034.cif 2234034.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2234034.cif 2234034.hkl
51299	2012-04-03	../uploads/cif-deposit/cod/cif Adding structures of 2234034 via cif-deposit CGI script.	2234034.cif