Crystallography Open Database

Information card for entry 7060446

Preview

Coordinates	7060446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Cd Cu6 N12 O22 S6
Calculated formula	C42 H44 Cd Cu6 N12 O22 S6
Title of publication	Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies
Authors of publication	Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	14
Pages of publication	6503 - 6511
a	11.6027 ± 0.0005 Å
b	12.0784 ± 0.0004 Å
c	12.2986 ± 0.0005 Å
α	64.612 ± 0.004°
β	82.183 ± 0.004°
γ	75.63 ± 0.004°
Cell volume	1507.52 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0486
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	0.899
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
264931 (current)	2021-05-05	cif/ Updating files of 7060445, 7060446, 7060447 Original log message: Adding full bibliography for 7060445--7060447.cif.	7060446.cif
262986	2021-03-11	cif/ Adding structures of 7060445, 7060446, 7060447 via cif-deposit CGI script.	7060446.cif