Crystallography Open Database

Information card for entry 7225986

Preview

Coordinates	7225986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H140 N8 Ni8 O59
Calculated formula	C83 H56 N8 Ni8 O59
Title of publication	A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes
Authors of publication	Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	35
Pages of publication	6673
a	29.353 ± 0.0006 Å
b	29.353 ± 0.0006 Å
c	16.1124 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	13882.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.172
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.2893
Weighted residual factors for all reflections included in the refinement	0.3578
Goodness-of-fit parameter for all reflections included in the refinement	1.196
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
186345 (current)	2016-09-10	cif/ Updating files of 7225986, 7225987 Original log message: Adding full bibliography for 7225986--7225987.cif.	7225986.cif
184566	2016-07-21	cif/ Adding structures of 7225986, 7225987 via cif-deposit CGI script.	7225986.cif