Crystallography Open Database

Information card for entry 4336554

Preview

Coordinates	4336554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H48 Cl3 N6 O4 Y
Calculated formula	C27 H48 Cl3 N6 O4 Y
Title of publication	Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes
Authors of publication	Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12450 - 12460
a	8.138 ± 0.002 Å
b	16.612 ± 0.003 Å
c	23.266 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3145.3 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179468 (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 4/33/65.	4336554.cif
102558	2014-02-21	cif/ Adding structures of 4336554 via cif-deposit CGI script.	4336554.cif