Crystallography Open Database

Information card for entry 1543581

Preview

Coordinates	1543581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Ag4 I6 N4
Calculated formula	C18 H26 Ag4 I6 N4
SMILES	[I]1[Ag][I]23[Ag][I][Ag]2(I)[I][Ag]13I.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	6.8877 ± 0.0003 Å
b	16.7829 ± 0.0007 Å
c	14.5565 ± 0.001 Å
α	90°
β	103.211 ± 0.006°
γ	90°
Cell volume	1638.14 ± 0.16 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	0.0721
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	1543581.cif
184100	2016-07-01	cif/ Adding structures of 1543581 via cif-deposit CGI script.	1543581.cif