Crystallography Open Database

Information card for entry 4336549

Preview

Coordinates	4336549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cl6 N6
Calculated formula	C27.996 H39.996 Cl5.988 N6
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	14.23 ± 0.005 Å
b	10.235 ± 0.003 Å
c	11.719 ± 0.003 Å
α	90°
β	96.81 ± 0.03°
γ	90°
Cell volume	1694.8 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	4336549.cif
102553	2014-02-21	cif/ Adding structures of 4336549 via cif-deposit CGI script.	4336549.cif