Crystallography Open Database

Information card for entry 1549199

Preview

Coordinates	1549199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H76 Fe4 K4 N24 O11
Calculated formula	C96 H76 Fe4 K4 N24 O11
Title of publication	A ternary Fe(ii)-terpyridyl complex-based single platform for reversible multiple-ion recognition.
Authors of publication	Singh, Alok Kumar; Pandey, Gajanan; Singh, Kaman; Kumar, Abhinav; Trivedi, Manoj; Singh, Vikram
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	18
Pages of publication	6386 - 6393
a	13.003 ± 0.003 Å
b	26.767 ± 0.005 Å
c	14.013 ± 0.003 Å
α	90°
β	103.41 ± 0.03°
γ	90°
Cell volume	4744.3 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1767
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
229879 (current)	2019-11-17	cif/ Updating files of 1549199 Original log message: Adding full bibliography for 1549199.cif.	1549199.cif
207232	2018-04-05	cif/ Adding structures of 1549199 via cif-deposit CGI script.	1549199.cif