Crystallography Open Database

Information card for entry 7214336

Preview

Structure parameters

Formula	C10 H26 Cl2 N6 Ni O8
Calculated formula	C10 H26 Cl2 N6 Ni O8
SMILES	Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Ni]123[NH]4CN(C[NH]1CC[NH]2CN(C[NH]3CC4)C)C
Title of publication	A ladder-type coordination polymer constructed from two macrocyclic units – calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex
Authors of publication	Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	3707
a	16.3018 ± 0.0005 Å
b	8.6598 ± 0.0002 Å
c	13.566 ± 0.0004 Å
α	90°
β	112.177 ± 0.004°
γ	90°
Cell volume	1773.44 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0957
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	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7214336.cif
180474	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 7/21/43.	7214336.cif
109288	2014-04-10	cif/ Adding structures of 7214336, 7214337 via cif-deposit CGI script.	7214336.cif