Crystallography Open Database

Information card for entry 4350657

Preview

Coordinates	4350657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H98 Cl4 Cu4 N2 O16 P4
Calculated formula	C92 H98 Cl4 Cu4 N2 O16 P4
Title of publication	Short-bite PNP ligand-supported rare tetranuclear [Cu4I4] clusters: structural and photoluminescence studies.
Authors of publication	Naik, Susmita; Mague, Joel T.; Balakrishna, Maravanji S.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3864 - 3873
a	11.8854 ± 0.0003 Å
b	14.2961 ± 0.0004 Å
c	15.0486 ± 0.0004 Å
α	111.404 ± 0.002°
β	92.821 ± 0.002°
γ	100.448 ± 0.002°
Cell volume	2322.49 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287934 (current)	2023-12-01	cif/ Changed data name '_olex2_refinement_descriptio' to '_olex2_refinement_description' in entries 4350657, 7708700.	4350657.cif
239978	2019-11-25	cif/ Adding structures of 4350657, 4350658, 4350659, 4350660 via cif-deposit CGI script.	4350657.cif