Crystallography Open Database

Information card for entry 4113905

Preview

Coordinates	4113905.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4.2CH2Cl2
Formula	C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb
Calculated formula	C78 H60 Ag Au4 Br4 Cl4 F6 P4 Sb
Title of publication	First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)
Authors of publication	Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8452 - 8453
a	18.018 ± 0.0005 Å
b	18.018 ± 0.0005 Å
c	25.702 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	8344.1 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178910 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/39.	4113905.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113905.cif
67180	2012-09-19	cif/ Adding structures of 4113905 via cif-deposit CGI script.	4113905.cif