Crystallography Open Database

Information card for entry 2231512

Preview

Coordinates	2231512.cif
Structure factors	2231512.hkl
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>')dysprosium(III)]
Formula	C78 H70 Dy2 N4 O18
Calculated formula	C78 H70 Dy2 N4 O18
SMILES	C1([C@H](C)Oc2ccccc2)=[O][Dy]23456([n]7cccc8ccc9ccc[n]2c9c78)(O1)[O]=C(O[Dy]127([O]5C(=[O]4)[C@H](Oc4ccccc4)C)([O]=C([C@@H](C)Oc4ccccc4)O2)([n]2cccc4ccc5ccc[n]1c5c24)([O]=C(O6)[C@@H](Oc1ccccc1)C)[O]=C([O]37)[C@@H](Oc1ccccc1)C)[C@@H](C)Oc1ccccc1
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>')dysprosium(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	9
Pages of publication	m1320
a	11.4738 ± 0.0001 Å
b	25.8057 ± 0.0003 Å
c	13.8525 ± 0.0002 Å
α	90°
β	120.657 ± 0.001°
γ	90°
Cell volume	3528.32 ± 0.08 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	0.0357
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181237 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/15.	2231512.cif 2231512.hkl
176798	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.	2231512.cif 2231512.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2231512.cif 2231512.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2231512.cif 2231512.hkl
27934	2011-10-07	hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates.	2231512.cif 2231512.hkl
27641	2011-10-07	../uploads/cif-deposit/cod/cif Adding structures of 2231512 via cif-deposit CGI script.	2231512.cif