Crystallography Open Database

Information card for entry 7225546

Preview

Coordinates	7225546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Co N7 O6
Calculated formula	C24 H30 Co N7 O6
SMILES	C(#N)CC[Co]12(N(=C(C(C)=[N]1O)C)=O)([N](=C(C(C)=N2=O)C)O)[n]1cccc(c1)/N=C/c1cc(ccc1O)OC
Title of publication	Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization
Authors of publication	Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	38
Pages of publication	7330
a	17.211 ± 0.0005 Å
b	7.562 ± 0.0002 Å
c	21.477 ± 0.0005 Å
α	90°
β	107.555 ± 0.001°
γ	90°
Cell volume	2665.04 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Ambient diffracton pressure	101.3 kPa
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
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
187033 (current)	2016-10-08	cif/ Updating files of 7225542, 7225543, 7225544, 7225545, 7225546, 7225547, 7225548, 7225549 Original log message: Adding full bibliography for 7225542--7225549.cif.	7225546.cif
183505	2016-06-16	cif/ Adding structures of 7225542, 7225543, 7225544, 7225545, 7225546, 7225547, 7225548, 7225549 via cif-deposit CGI script.	7225546.cif