Crystallography Open Database

Information card for entry 7000497

Preview

Coordinates	7000497.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 6
Formula	C54 H70 Cl2 Cr Li N4 O4
Calculated formula	C54 H70 Cl2 Cr Li N4 O4
Title of publication	New structural motifs in chromium(iii) calix[4 and 6]arene chemistry
Authors of publication	Redshaw, Carl; Homden, Damien; Hughes, David L.; Wright, Joseph A.; Elsegood, Mark R. J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	7
Pages of publication	1231 - 1242
a	14.1176 ± 0.0002 Å
b	21.8758 ± 0.0004 Å
c	18.4573 ± 0.0003 Å
α	90°
β	108.323 ± 0.0007°
γ	90°
Cell volume	5411.24 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179682 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/04.	7000497.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000497.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000497.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000497.cif