Crystallography Open Database

Information card for entry 2227785

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Structure parameters

Chemical name	Bis{1,4-bis[(3-butylimidazolium-1-yl)methyl]benzene}silver(I) bis(hexafluoridophosphate)
Formula	C44 H60 Ag2 F12 N8 P2
Calculated formula	C44 H60 Ag2 F12 N8 P2
SMILES	c1c2ccc(c1)CN1C(N(C=C1)CCCC)=[Ag]=C1N(Cc3ccc(cc3)CN3C(=[Ag]=C4N(C2)C=CN4CCCC)N(C=C3)CCCC)C=CN1CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Bis{1,4-bis[(3-butylimidazolium-1-yl)methyl]benzene}silver(I) bis(hexafluoridophosphate)
Authors of publication	Haque, Rosenani A.; Washeel, Abbas; Teoh, Siang Guan; Hemamalini, Madhukar; Fun, Hoong-Kun
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	10
Pages of publication	m1286 - m1287
a	11.3636 ± 0.0015 Å
b	11.4119 ± 0.0015 Å
c	11.9918 ± 0.0015 Å
α	63.528 ± 0.002°
β	89.335 ± 0.002°
γ	65.811 ± 0.002°
Cell volume	1241.7 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181198 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/77.	2227785.cif 2227785.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227785.cif 2227785.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227785.cif 2227785.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2227785.cif 2227785.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227785.cif 2227785.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227785.cif 2227785.hkl
4822	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2227785 via cif-deposit CGI script.	2227785.cif