Crystallography Open Database

Information card for entry 4086005

Preview

Coordinates	4086005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129.2 H137 Ag4 F24 N23 O0.8 P4
Calculated formula	C126.8 H137 Ag4 F24 N23 O0.8 P4
Title of publication	NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions
Authors of publication	Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3167
a	14.8817 ± 0.0018 Å
b	15.6147 ± 0.0018 Å
c	16.1733 ± 0.0019 Å
α	76.743 ± 0.002°
β	78.461 ± 0.003°
γ	69.057 ± 0.002°
Cell volume	3387.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.148
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.2252
Weighted residual factors for all reflections included in the refinement	0.2739
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4086005.cif
152887	2015-08-05	cif/ Updating files of 4086005, 4086006, 4086007, 4086008, 4086009 Original log message: Adding full bibliography for 4086005--4086009.cif.	4086005.cif
139814	2015-07-01	cif/ Adding structures of 4086005 via cif-deposit CGI script.	4086005.cif