Crystallography Open Database

Information card for entry 1572214

Preview

Coordinates	1572214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H102 B60 Cu14 N6 O8 S12
Calculated formula	C30 H102 B60 Cu14 N6 O8 S12
Title of publication	Multicolor photoluminescence of Cu<sub>14</sub> clusters modulated using surface ligands.
Authors of publication	Jana, Arijit; Duary, Subrata; Das, Amitabha; Kini, Amoghavarsha Ramachandra; Acharya, Swetashree; Machacek, Jan; Pathak, Biswarup; Base, Tomas; Pradeep, Thalappil
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	34
Pages of publication	13741 - 13752
a	19.5323 ± 0.0004 Å
b	19.5323 ± 0.0004 Å
c	29.2601 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	9667.5 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
294502 (current)	2024-09-06	cif/ Updating files of 1572214 Original log message: Adding full bibliography for 1572214.cif.	1572214.cif
293599	2024-07-31	cif/ Adding structures of 1572214 via cif-deposit CGI script.	1572214.cif