Crystallography Open Database

Information card for entry 7045035

Preview

Coordinates	7045035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Co N7 O6
Calculated formula	C21 H20 Co N7 O6
SMILES	[Co]1234(Oc5c([N]2=Cc2[n]1cc[nH]2)cccc5)Oc1c([N]4=Cc2[n]3cc[nH]2)cccc1.OC.O=N(=O)[O-]
Title of publication	Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex.
Authors of publication	Sertphon, Darunee; Murray, Keith S.; Phonsri, Wasinee; Jover, Jesús; Ruiz, Eliseo; Telfer, Shane G.; Alkaş, Adil; Harding, Phimphaka; Harding, David J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	859 - 867
a	8.4486 ± 0.0005 Å
b	10.2104 ± 0.0007 Å
c	12.8436 ± 0.0009 Å
α	96.875 ± 0.007°
β	98.442 ± 0.007°
γ	101.045 ± 0.007°
Cell volume	1063.09 ± 0.13 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2337
Weighted residual factors for all reflections included in the refinement	0.2626
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230055 (current)	2019-11-17	cif/ Updating files of 7045035, 7045036 Original log message: Adding full bibliography for 7045035--7045036.cif.	7045035.cif
204206	2017-12-13	cif/ Adding structures of 7045035, 7045036 via cif-deposit CGI script.	7045035.cif