Crystallography Open Database

Information card for entry 7018912

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Coordinates	7018912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H43 Ag O8 P2
Calculated formula	C44 H43 Ag O8 P2
SMILES	[Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(O1)CC(O)(C(=O)O)CC(=O)O.OCC
Title of publication	Mechanochemical and solution synthesis, and crystal structures and IR and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(i) mono- and di-hydrogencitrate systems.
Authors of publication	Bowmaker, Graham A.; Hanna, John V.; Skelton, Brian W.; White, Allan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	17
Pages of publication	5409 - 5417
a	12.2314 ± 0.0005 Å
b	12.8542 ± 0.0005 Å
c	14.451 ± 0.0004 Å
α	82.679 ± 0.002°
β	87.727 ± 0.003°
γ	64.362 ± 0.004°
Cell volume	2031.36 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7018912.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018912.cif
55992	2012-05-08	cif/ Adding structures of 7018911, 7018912 via cif-deposit CGI script.	7018912.cif