Crystallography Open Database

Information card for entry 7005556

Preview

Coordinates	7005556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Cl Ho N4 O2
Calculated formula	C42 H52 Cl Ho N4 O2
SMILES	C12C=CC=CC=C1N1[C@H]([C@H](c3ccccc3)N3C4C(C=CC=CC4)=[N](C(C)C)[Ho]13([N]=2C(C)C)([O]1CCCC1)Cl)c1ccccc1.C1CCCO1
Title of publication	Chiral bridged aminotroponiminate complexes of the lanthanides.
Authors of publication	Meyer, Nils; Roesky, Peter W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	25
Pages of publication	2652 - 2657
a	8.8136 ± 0.0011 Å
b	14.005 ± 0.002 Å
c	34.259 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4228.7 ± 1 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 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	0.0886
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179759 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/55.	7005556.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005556.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005556.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005556.cif