Crystallography Open Database

Information card for entry 7041252

Preview

Coordinates	7041252.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(?2-dcpm)Ag2(?2-O2CH)(η2-NO3)]2.[(?2-dcpm)2Ag4(?2-NO3)4]
Formula	C76 H139 Ag6 N5 O17 P6
Calculated formula	C76 H139 Ag6 N5 O17 P6
Title of publication	An unusual co-crystal [(μ2-dcpm)Ag2(μ2-O2CH)(η(2)-NO3)]2·[(μ2-dcpm)2Ag4(μ2-NO3)4] and its connection to the selective decarboxylation of formic acid in the gas phase.
Authors of publication	Zavras, Athanasios; White, Jonathan M.; O'Hair, Richard A J
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	48
Pages of publication	19408 - 19415
a	24.639 ± 0.0002 Å
b	16.0825 ± 0.0001 Å
c	23.4143 ± 0.0001 Å
α	90°
β	94.798 ± 0.001°
γ	90°
Cell volume	9245.56 ± 0.1 Å³
Cell temperature	130 ± 0.2 K
Ambient diffraction temperature	130 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190143 (current)	2017-01-09	cif/ Updating files of 7041252 Original log message: Adding full bibliography for 7041252.cif.	7041252.cif
188666	2016-11-25	cif/ Adding structures of 7041252 via cif-deposit CGI script.	7041252.cif