Crystallography Open Database

Information card for entry 7210408

Preview

Coordinates	7210408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H82 Ag F6 N6 O3 P
Calculated formula	C77 H79 Ag F6 N6 O3 P
Title of publication	Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior
Authors of publication	Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	35
Pages of publication	6948
a	12.733 ± 0.002 Å
b	15.734 ± 0.003 Å
c	19.262 ± 0.004 Å
α	83.265 ± 0.008°
β	80.083 ± 0.008°
γ	70.44 ± 0.006°
Cell volume	3574.5 ± 1.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0465
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180435 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/04.	7210408.cif
87617	2013-08-27	cif/ Adding structures of 7210403, 7210404, 7210405, 7210406, 7210407, 7210408 via cif-deposit CGI script.	7210408.cif