Crystallography Open Database

Information card for entry 4334791

Preview

Coordinates	4334791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Cl2 Mg N4 O11
Calculated formula	C17 H18 Cl2 Mg N4 O11
Title of publication	A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations
Authors of publication	Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5570 - 5580
a	9.8604 ± 0.0004 Å
b	9.968 ± 0.0005 Å
c	12.2159 ± 0.0004 Å
α	74.51 ± 0.003°
β	84.256 ± 0.003°
γ	73.945 ± 0.004°
Cell volume	1111.49 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179450 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/47.	4334791.cif
100664	2014-02-06	cif/ Adding structures of 4334791 via cif-deposit CGI script.	4334791.cif