Crystallography Open Database

Information card for entry 7212031

7212030 << 7212031 >> 7212032

Preview

Coordinates	7212031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cl4 N10 O6 Zn2
Calculated formula	C38 H50 Cl4 N10 O6 Zn2
SMILES	O=CN(C)C.[Zn]1(Cl)([n]2ccc(cc2)NC(=O)CCCCC(=O)Nc2cc[n]([Zn]([n]3ccc(cc3)NC(=O)CCCCC(=O)Nc3cc[n]1cc3)(Cl)Cl)cc2)Cl.N(C)(C)C=O
Title of publication	Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand
Authors of publication	Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	702
a	7.9172 ± 0.0005 Å
b	23.3476 ± 0.0015 Å
c	12.7571 ± 0.0008 Å
α	90°
β	100.82 ± 0.001°
γ	90°
Cell volume	2316.2 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
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	0.05
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212031.cif
92563	2014-01-12	cif/ Adding structures of 7212027, 7212028, 7212029, 7212030, 7212031, 7212032 via cif-deposit CGI script.	7212031.cif