Crystallography Open Database

Information card for entry 7214337

Preview

Coordinates	7214337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C161 H265 N27 Ni3 O34
Calculated formula	C161 H265 N27 Ni3 O34
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	12.9588 ± 0.0004 Å
b	15.3239 ± 0.0005 Å
c	24.3358 ± 0.0009 Å
α	78.225 ± 0.003°
β	84.909 ± 0.003°
γ	70.031 ± 0.003°
Cell volume	4445.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.2038
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180474 (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 7/21/43.	7214337.cif
109288	2014-04-10	cif/ Adding structures of 7214336, 7214337 via cif-deposit CGI script.	7214337.cif