Crystallography Open Database

Information card for entry 7228010

Preview

Coordinates	7228010.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[La(dipic)3] [CoEn3] * 4(H2O)
Formula	C27 H41 Co La N9 O16
Calculated formula	C27 H41 Co La N9 O16
SMILES	[La]123456([n]7c(cccc7C(=O)O2)C(=O)O1)([n]1c(cccc1C(=O)O4)C(=O)O3)[n]1c(cccc1C(=O)O6)C(=O)O5.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O.O.O
Title of publication	Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions
Authors of publication	Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	17
Pages of publication	2372
a	15.191 ± 0.001 Å
b	10.5019 ± 0.0009 Å
c	22.891 ± 0.002 Å
α	90°
β	107.102 ± 0.002°
γ	90°
Cell volume	3490.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0813
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
196378 (current)	2017-05-06	cif/ Updating files of 7228006, 7228007, 7228008, 7228009, 7228010, 7228011 Original log message: Adding full bibliography for 7228006--7228011.cif.	7228010.cif
195227	2017-04-06	cif/ Adding structures of 7228006, 7228007, 7228008, 7228009, 7228010, 7228011 via cif-deposit CGI script.	7228010.cif