Crystallography Open Database

Information card for entry 4341558

Preview

Coordinates	4341558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 Cl2 N10 O12 Tb
Calculated formula	C21 H27 Cl2 N10 O12 Tb
SMILES	[Tb]1234567([O]=C(O1)C)[N](CC[N]2=Cc1[n]3c[nH]c1)(CC[N]4=Cc1[n]5c[nH]c1)CC[N]6=Cc1[n]7c[nH]c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
Title of publication	Crystal Field Splitting of the Ground State of Terbium(III) and Dysprosium(III) Complexes with a Triimidazolyl Tripod Ligand and an Acetate Determined by Magnetic Analysis and Luminescence.
Authors of publication	Shintoyo, Seira; Murakami, Keishiro; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Watanabe, Masayuki; Tsuchimoto, Masanobu; Mrozinski, Jerzy; Coletti, Cecilia; Re, Nazzareno
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10359 - 10369
a	17.1674 ± 0.0005 Å
b	10.5558 ± 0.0004 Å
c	17.4175 ± 0.0006 Å
α	90°
β	92.9486 ± 0.0008°
γ	90°
Cell volume	3152.14 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341558.cif
126714	2014-11-10	cif/ Adding structures of 4341558, 4341559 via cif-deposit CGI script.	4341558.cif