Crystallography Open Database

Information card for entry 7062166

Preview

Coordinates	7062166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N O2 Se
Calculated formula	C20 H19 N O2 Se
SMILES	[Se](c1ccc(cc1)/C=C1\N=C(OC1=O)c1ccccc1)CCCC
Title of publication	Silver(i) complexes containing heteroleptic diorganochalcogen(ii) ligands
Authors of publication	Butuza, Roxana A.; Dumitraş, Darius; Bohan, Cosmina; Pop, Alexandra
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	5
Pages of publication	2202 - 2210
a	18.3038 ± 0.0011 Å
b	5.2946 ± 0.0003 Å
c	18.3266 ± 0.0011 Å
α	90°
β	102.537 ± 0.002°
γ	90°
Cell volume	1733.71 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0929
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
281506 (current)	2023-03-04	cif/ Updating files of 7062165, 7062166, 7062167 Original log message: Adding full bibliography for 7062165--7062167.cif.	7062166.cif
279883	2022-12-14	cif/ Adding structures of 7062165, 7062166, 7062167 via cif-deposit CGI script.	7062166.cif