Crystallography Open Database

Information card for entry 7019407

7019406 << 7019407 >> 7019408

Preview

Coordinates	7019407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105.5 H117 Cl6 Fe3 K3 N15.5 O13
Calculated formula	C100.13 H107 Cl6 Fe3 K3 N15.48 O12
Title of publication	Synthesis and characterization of a tris(2-hydroxyphenyl)methane-based cryptand and its triiron(iii) complex.
Authors of publication	Guillet, Gary L.; Sloane, Forrest T.; Dumont, Matthieu F.; Abboud, Khalil A.; Murray, Leslie J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7866 - 7869
a	22.8525 ± 0.0016 Å
b	22.8525 ± 0.0016 Å
c	22.8525 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	11934.4 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019407.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019407.cif
62861	2012-07-09	cif/ Adding structures of 7019406, 7019407 via cif-deposit CGI script.	7019407.cif