Crystallography Open Database

Information card for entry 7112006

7112005 << 7112006 >> 7112007

Preview

Coordinates	7112006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C194 H270 B4 Cl12 F12 Fe2 Ir4 N24 O27 S4
Calculated formula	C183 H246 B4 Cl8 F9 Fe2 Ir4 N24 O22 S3
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	58.688 ± 0.004 Å
b	21.7043 ± 0.0016 Å
c	17.5541 ± 0.0013 Å
α	90°
β	94.116 ± 0.001°
γ	90°
Cell volume	22302 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	10
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.2198
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	7112006.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112006.cif
103337	2014-02-28	cif/ Adding structures of 7112006, 7112007, 7112008 via cif-deposit CGI script.	7112006.cif