Crystallography Open Database

Information card for entry 7061002

Preview

Coordinates	7061002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H104 Cd2 O8 P4 S8
Calculated formula	C80 H104 Cd2 O8 P4 S8
Title of publication	Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand
Authors of publication	Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	41
Pages of publication	19402 - 19415
a	12.083 ± 0.003 Å
b	13.084 ± 0.003 Å
c	16.602 ± 0.003 Å
α	70.284 ± 0.018°
β	88.794 ± 0.017°
γ	62.94 ± 0.03°
Cell volume	2172.7 ± 1.1 Å³
Cell temperature	150.01 ± 0.15 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1708
Residual factor for significantly intense reflections	0.1284
Weighted residual factors for significantly intense reflections	0.2987
Weighted residual factors for all reflections included in the refinement	0.3939
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
270467 (current)	2021-11-06	cif/ Updating files of 7061001, 7061002 Original log message: Adding full bibliography for 7061001--7061002.cif.	7061002.cif
269871	2021-10-09	cif/ Adding structures of 7061001, 7061002 via cif-deposit CGI script.	7061002.cif