Crystallography Open Database

Information card for entry 1543583

Preview

Coordinates	1543583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Ag4 Br6 N4
Calculated formula	C18 H24 Ag4 Br6 N4
SMILES	[Br]1[Ag][Br]23[Ag][Br][Ag]2(Br)[Br][Ag]13Br.n1(cc[n+](c1C)Cc1ccc(cc1)C[n+]1ccn(c1C)C)C
Title of publication	The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids
Authors of publication	Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	227 - 232
a	6.7819 ± 0.0003 Å
b	16.2453 ± 0.0008 Å
c	13.4456 ± 0.0007 Å
α	90°
β	103.81 ± 0.005°
γ	90°
Cell volume	1438.53 ± 0.13 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543583.cif
184102	2016-07-01	cif/ Adding structures of 1543583 via cif-deposit CGI script.	1543583.cif