Crystallography Open Database

Information card for entry 7112777

Preview

Coordinates	7112777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Ho Na O8
Calculated formula	C28 H20 Ho Na O8
Title of publication	[LnNa(PhCO2)4] (Ln = Ho, Dy): the first examples of chiral srs 3D networks constructed using the monotopic benzoate ligand
Authors of publication	Majeed, Zeeshan; Mondal, Kartik C.; Kostakis, George E.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2010
Journal volume	46
Journal issue	15
Pages of publication	2551 - 2553
a	16.1249 ± 0.0003 Å
b	16.1249 ± 0.0003 Å
c	19.506 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5071.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7105399
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210627 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7105399-7105400, 7112777-7112778. Marking entries 7112777-7112778 as duplicates of entries 7105399-7105400.	7112777.cif
180241	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112777.cif
112085	2014-04-29	cif/ Adding structures of 7112777, 7112778 via cif-deposit CGI script.	7112777.cif