Crystallography Open Database

Information card for entry 2228101

Preview

Coordinates	2228101.cif
Structure factors	2228101.hkl
Original IUCr paper	HTML
External links	PubChem

Structure parameters

Chemical name	Bis(2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';3κ^2^<i>N</i>,<i>N</i>'-hexa- μ-methacrylato-1:2κ^6^<i>O</i>:<i>O</i>';2:3κ^6^<i>O</i>:<i>O</i>'- (nitrato-2κ^2^<i>O</i>,<i>O</i>')-1,3-dicobalt(II)-2-terbium(III)
Formula	C44 H46 Co2 N5 O15 Tb
Calculated formula	C44 H46 Co2 N5 O15 Tb
SMILES	[Tb]12345([O]=C(C(C)=C)O[Co]6(OC(=[O]1)C(=C)C)(OC(C(C)=C)=[O]2)[n]1ccccc1c1[n]6cccc1)([O]=N(=O)O3)[O]=C(O[Co]12(OC(C(=C)C)=[O]4)(O5C(C(=C)C)=[O]1)[n]1ccccc1c1[n]2cccc1)C(=C)C
Title of publication	Bis(2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';3κ^2^<i>N</i>,<i>N</i>'-hexa-μ-methacrylato-1:2κ^6^<i>O</i>:<i>O</i>';2:3κ^6^<i>O</i>:<i>O</i>'-(nitrato-2κ^2^<i>O</i>,<i>O</i>')-1,3-dicobalt(II)-2-terbium(III)
Authors of publication	Wu, Bin; Zhao, Cheng-Xin
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	9
Pages of publication	m1075
a	11.3717 ± 0.0006 Å
b	13.4396 ± 0.0005 Å
c	16.3572 ± 0.0008 Å
α	103.912 ± 0.002°
β	99.95 ± 0.002°
γ	99.845 ± 0.003°
Cell volume	2330.26 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301805 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure.	2228101.cif 2228101.hkl
181202	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/81.	2228101.cif 2228101.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228101.cif 2228101.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228101.cif 2228101.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.	2228101.cif 2228101.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228101.cif 2228101.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2228101.cif 2228101.hkl
5138	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2228101 via cif-deposit CGI script.	2228101.cif