Crystallography Open Database

Information card for entry 7206549

7206548 << 7206549 >> 7206550

Preview

Coordinates	7206549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H86 Cl4 Fe3 N26 O20 S2
Calculated formula	C110 H82 Fe3 N26 O2 S2
Title of publication	Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons
Authors of publication	Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5813
a	13.2081 ± 0.0006 Å
b	22.073 ± 0.001 Å
c	18.8381 ± 0.0009 Å
α	90°
β	93.242 ± 0.001°
γ	90°
Cell volume	5483.3 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180396 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/65.	7206549.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206549.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206549.cif
28011	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206549, 7206550 via cif-deposit CGI script.	7206549.cif