Crystallography Open Database

Information card for entry 7243392

Preview

Coordinates	7243392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H74 N8 O15 Zn2
Calculated formula	C74 H74 N8 O15 Zn2
SMILES	[Zn]12([O]=C(O1)/C(NC(=O)C)=C/c1ccccc1)(OC(=O)/C(NC(=O)C)=C/c1ccccc1)[n]1cccc3ccc4ccc[n]2c4c13.[Zn]123([O]=C(O1)/C(NC(=O)C)=C/c1ccccc1)([O]=C(O2)/C(NC(=O)C)=C/c1ccccc1)[n]1cccc2ccc4ccc[n]3c4c12.OCC.OCC.OCC
Title of publication	Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes
Authors of publication	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	6199 - 6213
a	16.8072 ± 0.0009 Å
b	16.4259 ± 0.0008 Å
c	24.7605 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6835.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	0.92
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
269691 (current)	2021-10-06	cif/ Updating files of 7243387, 7243388, 7243389, 7243390, 7243391, 7243392 Original log message: Adding full bibliography for 7243387--7243392.cif.	7243392.cif
268107	2021-08-18	cif/ Adding structures of 7243387, 7243388, 7243389, 7243390, 7243391, 7243392 via cif-deposit CGI script.	7243392.cif