Crystallography Open Database

Information card for entry 7020702

7020701 << 7020702 >> 7020703

Preview

Coordinates	7020702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H60 N12 O22 Zn8
Calculated formula	C78 H60 N12 O22 Zn8
Title of publication	Unsymmetrical octanuclear Schiff base clusters: synthesis, characterization and catalysis.
Authors of publication	Kielland, Nicola; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Kleij, Arjan W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1427 - 1436
a	16.6963 ± 0.0015 Å
b	16.6963 ± 0.0015 Å
c	14.714 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4101.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
179912 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07.	7020702.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020702.cif
73644	2013-02-20	cif/ Adding structures of 7020702, 7020703 via cif-deposit CGI script.	7020702.cif