Crystallography Open Database

Information card for entry 1570778

Preview

Coordinates	1570778.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)
Formula	C14 H12 Cl2 N2 O2 Zn
Calculated formula	C14 H12 Cl2 N2 O2 Zn
SMILES	c1cc(c2c3[n]1[Zn](Cl)([n]1ccc(c(c31)cc2)OC)Cl)OC
Title of publication	Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)
Authors of publication	Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	1
Pages of publication	x240037
a	14.7877 ± 0.0006 Å
b	9.9287 ± 0.0004 Å
c	9.523 ± 0.0003 Å
α	90°
β	95.233 ± 0.004°
γ	90°
Cell volume	1392.36 ± 0.09 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1570778.cif
289079	2024-01-13	cif/ Adding structures of 1570778 via cif-deposit CGI script.	1570778.cif