Crystallography Open Database

Information card for entry 2232016

2232015 << 2232016 >> 2232017

Preview

Coordinates	2232016.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato- κ^2^<i>O</i>,<i>O</i>')holmium(III)]
Formula	C78 H70 Ho2 N4 O18
Calculated formula	C78 H70 Ho2 N4 O18
SMILES	[n]12cccc3ccc4ccc[n]([Ho]567891([O]=C([C@H](Oc1ccccc1)C)O[Ho]1%10%11([n]%12cccc%13ccc%14ccc[n]1c%14c%12%13)([O]7C([C@H](C)Oc1ccccc1)=[O]9)([O]8C([C@@H](C)Oc1ccccc1)=[O]%11)([O]=C(O6)[C@@H](Oc1ccccc1)C)[O]=C(O%10)[C@@H](Oc1ccccc1)C)[O]=C(O5)[C@H](Oc1ccccc1)C)c4c23
Title of publication	Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')holmium(III)]
Authors of publication	Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	10
Pages of publication	m1401
a	11.4657 ± 0.0002 Å
b	25.796 ± 0.0003 Å
c	13.8366 ± 0.0002 Å
α	90°
β	120.687 ± 0.001°
γ	90°
Cell volume	3519.37 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0597
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2232016.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2232016.cif
29305	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2232016 via cif-deposit CGI script.	2232016.cif