Crystallography Open Database

Information card for entry 7061360

Preview

Coordinates	7061360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H45 Cl N6 O10 Zn
Calculated formula	C43 H45 Cl N6 O10 Zn
Title of publication	Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {bz-H2O-Cl}n anion-water clusters: antiproliferative evaluation and theoretical studies
Authors of publication	Dutta, Debasish; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Baruwa, Bandita; Bhattacharyya, Manjit K.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	12
Pages of publication	5638 - 5652
a	21.1405 ± 0.0007 Å
b	17.9407 ± 0.0005 Å
c	22.1292 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8393.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275042 (current)	2022-05-05	cif/ Updating files of 7061360, 7061361 Original log message: Adding full bibliography for 7061360--7061361.cif.	7061360.cif
273309	2022-03-04	cif/ Adding structures of 7061360, 7061361 via cif-deposit CGI script.	7061360.cif