Crystallography Open Database

Information card for entry 7112008

7112007 << 7112008 >> 7112009

Preview

Coordinates	7112008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H64 B2 Cl12 Fe Ir2 N8 O6
Calculated formula	C46 H64 B2 Cl12 Fe Ir2 N8 O6
Title of publication	Nano-sized heterometallic macrocycles based on 4-pyridinylboron-capped iron(II) clathrochelates: syntheses, structures and properties
Authors of publication	Ying-Ying Zhang; Yue-Jian Lin; Guo-Xin Jin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2327
a	14.9176 ± 0.0011 Å
b	19.1802 ± 0.0014 Å
c	23.1519 ± 0.0017 Å
α	90°
β	104.435 ± 0.001°
γ	90°
Cell volume	6415.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0396
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112008.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112008.cif
103337	2014-02-28	cif/ Adding structures of 7112006, 7112007, 7112008 via cif-deposit CGI script.	7112008.cif